4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol

C24H24F5NO — CID 71146383

IUPAC4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol
SMILESCCc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccnc2cc(F)ccc12)C(F)(F)F
InChIInChI=1S/C24H24F5NO/c1-4-15-5-6-17(25)11-20(15)22(2,3)14-23(31,24(27,28)29)13-16-9-10-30-21-12-18(26)7-8-19(16)21/h5-12,31H,4,13-14H2,1-3H3
InChIKeyMFGQFMXSBLUIMV-UHFFFAOYSA-N
MW437.45 g/mol
LogP6.28
Rot. Bonds6

About 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol

4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol (PubChem CID 71146383) has the molecular formula C24H24F5NO and a molecular weight of 437.45 g/mol. Its IUPAC name is 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol
PubChem CID71146383
Molecular FormulaC24H24F5NO
Molecular Weight437.45 g/mol
Exact Mass437.18
IUPAC Name4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol
SMILESCCc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccnc2cc(F)ccc12)C(F)(F)F
InChIInChI=1S/C24H24F5NO/c1-4-15-5-6-17(25)11-20(15)22(2,3)14-23(31,24(27,28)29)13-16-9-10-30-21-12-18(26)7-8-19(16)21/h5-12,31H,4,13-14H2,1-3H3
InChIKeyMFGQFMXSBLUIMV-UHFFFAOYSA-N
XLogP6.28
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.45
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol with MolForge

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Related Compounds

4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol
CID 71146381
5-fluoro-2-[5,5,5-trifluoro-4-hydroxy-2-methyl-4-(quinolin-4-ylmethyl)pentan-2-yl]phenol
CID 22398563
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[5-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
CID 89311699
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-4-methyl-2-[[6-(trifluoromethyl)-1H-indol-2-yl]methyl]pentan-2-ol
CID 89311700
1,1,1-trifluoro-4-methyl-2-(quinolin-4-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pentan-2-ol
CID 22398523
1,1,1-trifluoro-4-(1-methoxynaphthalen-2-yl)-4-methyl-2-(quinolin-4-ylmethyl)pentan-2-ol
CID 22398612
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(5H-pyrrolo[2,3-b]pyrazin-6-ylmethyl)pentan-2-ol
CID 11269445
1,1,1-trifluoro-4-(5-fluoro-2-methylphenyl)-4-methyl-2-(pyridin-2-ylmethyl)pentan-2-ol
CID 71146377
2-[4-[(3-chloroquinolin-4-yl)methyl]-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl]-4-fluorophenol
CID 10173613
2-(4-benzyl-5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl)-4-fluorophenol
CID 58959924
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-2-[(2,3,5-trifluorophenyl)methyl]pentan-2-ol
CID 10151117
1,1,1-trifluoro-4-(5-fluoro-2-methoxyphenyl)-4-methyl-N-propyl-2-(quinolin-4-ylmethyl)pentan-2-amine
CID 10322107

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol?
The IUPAC name of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol (CID 71146383) is 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol.
What is the SMILES notation for 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol?
The canonical SMILES for 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol is CCc1ccc(F)cc1C(C)(C)CC(O)(Cc1ccnc2cc(F)ccc12)C(F)(F)F.
What is the InChIKey of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol?
The InChIKey is MFGQFMXSBLUIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F5NO/c1-4-15-5-6-17(25)11-20(15)22(2,3)14-23(31,24(27,28)29)13-16-9-10-30-21-12-18(26)7-8-19(16)21/h5-12,31H,4,13-14H2,1-3H3.
What are the key properties of 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol?
4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol has a molecular weight of 437.45 g/mol, XLogP of 6.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethyl-5-fluorophenyl)-1,1,1-trifluoro-2-[(7-fluoroquinolin-4-yl)methyl]-4-methylpentan-2-ol is sourced from PubChem (CID 71146383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).