4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine

C24H19F4NO — CID 126626678

IUPAC4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine
SMILESFc1ccc(-c2ccncc2C(F)(F)F)c2c1C(Oc1ccc(C3CC3)cc1)CC2
InChIInChI=1S/C24H19F4NO/c25-21-9-7-17(18-11-12-29-13-20(18)24(26,27)28)19-8-10-22(23(19)21)30-16-5-3-15(4-6-16)14-1-2-14/h3-7,9,11-14,22H,1-2,8,10H2
InChIKeyBMZFRCNXTCEIOS-UHFFFAOYSA-N
MW413.41 g/mol
LogP6.85
Rot. Bonds4

About 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine

4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine (PubChem CID 126626678) has the molecular formula C24H19F4NO and a molecular weight of 413.41 g/mol. Its IUPAC name is 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine
PubChem CID126626678
Molecular FormulaC24H19F4NO
Molecular Weight413.41 g/mol
Exact Mass413.14
IUPAC Name4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine
SMILESFc1ccc(-c2ccncc2C(F)(F)F)c2c1C(Oc1ccc(C3CC3)cc1)CC2
InChIInChI=1S/C24H19F4NO/c25-21-9-7-17(18-11-12-29-13-20(18)24(26,27)28)19-8-10-22(23(19)21)30-16-5-3-15(4-6-16)14-1-2-14/h3-7,9,11-14,22H,1-2,8,10H2
InChIKeyBMZFRCNXTCEIOS-UHFFFAOYSA-N
XLogP6.85
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.41
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine with MolForge

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Related Compounds

1-(4-cyclopropylphenoxy)-4-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]-7-fluoro-2,3-dihydro-1H-indene
CID 139322361
1-(4-cyclopropylphenoxy)-4-[2,6-dimethyl-4-(4-methylsulfonylbutoxy)phenyl]-7-fluoro-2,3-dihydro-1H-indene
CID 126626877
3-[4-[[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]phenyl]-5-methyl-1,2,4-oxadiazole
CID 134387836
2-[4-[[4-(2,6-dimethylphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
CID 126626764
trans-(1S,2S)-2-[4-[[4-(3-cyano-2-methylphenyl)-7-fluoro-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]cyclopropane-1-carboxylic acid
CID 142357556
2-[6-[[(1R)-7-fluoro-4-(trifluoromethyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 71059057
3-[4-[[(1R)-7-fluoro-4-[5-(oxolan-3-yloxy)-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid
CID 135124652
3-[4-[[(1R)-7-fluoro-4-[5-[(3R)-oxolan-3-yl]oxy-3-pyridinyl]-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]hex-4-ynoic acid
CID 135124651
4-[[(1R)-1-[4-[(1S,2S)-2-ethoxycarbonylcyclopropyl]phenoxy]-7-fluoro-2,3-dihydro-1H-inden-4-yl]oxy]benzoic acid
CID 118093746
2-[6-[[7-fluoro-4-(2-phenyl-3-pyridinyl)-2,3-dihydro-1H-inden-1-yl]oxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 123772216
3-(trifluoromethyl)-4-[4-(trifluoromethyl)phenyl]pyridine
CID 174650636
5-[3-[(6-fluoroisoquinolin-5-yl)methylamino]cyclobutyl]oxy-2-(trifluoromethyl)benzonitrile
CID 165143817

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine (CID 126626678) is 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine is Fc1ccc(-c2ccncc2C(F)(F)F)c2c1C(Oc1ccc(C3CC3)cc1)CC2.
What is the InChIKey of 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine?
The InChIKey is BMZFRCNXTCEIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F4NO/c25-21-9-7-17(18-11-12-29-13-20(18)24(26,27)28)19-8-10-22(23(19)21)30-16-5-3-15(4-6-16)14-1-2-14/h3-7,9,11-14,22H,1-2,8,10H2.
What are the key properties of 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine?
4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine has a molecular weight of 413.41 g/mol, XLogP of 6.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-cyclopropylphenoxy)-7-fluoro-2,3-dihydro-1H-inden-4-yl]-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 126626678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).