(7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline

C25H24F5NO — CID 71131741

IUPAC(7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline
SMILESC[C@@H](O[C@@H]1CCc2cccnc2C1[C@@H]1C=CC(F)=CC1)c1cc(CF)cc(C(F)(F)F)c1
InChIInChI=1S/C25H24F5NO/c1-15(19-11-16(14-26)12-20(13-19)25(28,29)30)32-22-9-6-18-3-2-10-31-24(18)23(22)17-4-7-21(27)8-5-17/h2-4,7-8,10-13,15,17,22-23H,5-6,9,14H2,1H3/t15-,17-,22-,23?/m1/s1
InChIKeyOMTFVAVICJFOLO-ZDYMFWMQSA-N
MW449.46 g/mol
LogP7.18
Rot. Bonds5

About (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline

(7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline (PubChem CID 71131741) has the molecular formula C25H24F5NO and a molecular weight of 449.46 g/mol. Its IUPAC name is (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name(7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline
PubChem CID71131741
Molecular FormulaC25H24F5NO
Molecular Weight449.46 g/mol
Exact Mass449.18
IUPAC Name(7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline
SMILESC[C@@H](O[C@@H]1CCc2cccnc2C1[C@@H]1C=CC(F)=CC1)c1cc(CF)cc(C(F)(F)F)c1
InChIInChI=1S/C25H24F5NO/c1-15(19-11-16(14-26)12-20(13-19)25(28,29)30)32-22-9-6-18-3-2-10-31-24(18)23(22)17-4-7-21(27)8-5-17/h2-4,7-8,10-13,15,17,22-23H,5-6,9,14H2,1H3/t15-,17-,22-,23?/m1/s1
InChIKeyOMTFVAVICJFOLO-ZDYMFWMQSA-N
XLogP7.18
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.46
LogP ≤ 57.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline with MolForge

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Related Compounds

(7S,8S)-7-[(1S)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline
CID 71131740
(7S,8S)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline
CID 11858034
(6R,7S,8S)-6-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-7-(4-fluorophenyl)-1,2,5,6,7,8-hexahydropyrrolizin-3-one
CID 71033292
(2R,8aS)-2-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)-7-(1,3-oxazol-2-yl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 70956341
(2R,3S)-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-[(1R)-4-fluorocyclohexa-2,4-dien-1-yl]morpholine
CID 89366909
(7S,8S)-7-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-4-chloro-8-(4-fluorophenyl)-5,6,7,8-tetrahydroquinoline
CID 11858117
(3R,5S)-3-amino-5-[(1R,2R,3S)-3-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentyl]-3-methylpyrrolidin-2-one
CID 70893446
6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 79732380
(7S,8S)-7-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-8-(4-fluorophenyl)-1-oxido-5,6,7,8-tetrahydroquinolin-1-ium
CID 59663845
7-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 102716446
1-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 79733088
3-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-2-(4-fluorophenyl)cyclopentane-1-carboxylic acid
CID 10226723

Frequently Asked Questions

What is the IUPAC name of (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline?
The IUPAC name of (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline (CID 71131741) is (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline is C[C@@H](O[C@@H]1CCc2cccnc2C1[C@@H]1C=CC(F)=CC1)c1cc(CF)cc(C(F)(F)F)c1.
What is the InChIKey of (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline?
The InChIKey is OMTFVAVICJFOLO-ZDYMFWMQSA-N. The full InChI is InChI=1S/C25H24F5NO/c1-15(19-11-16(14-26)12-20(13-19)25(28,29)30)32-22-9-6-18-3-2-10-31-24(18)23(22)17-4-7-21(27)8-5-17/h2-4,7-8,10-13,15,17,22-23H,5-6,9,14H2,1H3/t15-,17-,22-,23?/m1/s1.
What are the key properties of (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline?
(7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline has a molecular weight of 449.46 g/mol, XLogP of 7.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-8-[(1S)-4-fluorocyclohexa-2,4-dien-1-yl]-7-[(1R)-1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]ethoxy]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 71131741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).