[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol

C17H15F6NO — CID 59451320

IUPAC[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
SMILESOC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCC1
InChIInChI=1S/C17H15F6NO/c18-16(19,20)12-7-3-6-10-11(15(25)9-4-1-2-5-9)8-13(17(21,22)23)24-14(10)12/h3,6-9,15,25H,1-2,4-5H2
InChIKeyDSXUZMCUDQCJQC-UHFFFAOYSA-N
MW363.30 g/mol
LogP5.50
Rot. Bonds2

About [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol

[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol (PubChem CID 59451320) has the molecular formula C17H15F6NO and a molecular weight of 363.30 g/mol. Its IUPAC name is [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol.

Molecular Properties

Compound Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
PubChem CID59451320
Molecular FormulaC17H15F6NO
Molecular Weight363.30 g/mol
Exact Mass363.11
IUPAC Name[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol
SMILESOC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCC1
InChIInChI=1S/C17H15F6NO/c18-16(19,20)12-7-3-6-10-11(15(25)9-4-1-2-5-9)8-13(17(21,22)23)24-14(10)12/h3,6-9,15,25H,1-2,4-5H2
InChIKeyDSXUZMCUDQCJQC-UHFFFAOYSA-N
XLogP5.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.30
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-1-ium-2-yl]methanol
CID 24848226
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-pyrrolidin-2-yl]methanol
CID 59084682
(S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-piperidin-2-yl]methanol;hydrazine
CID 87721844
(R)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(1R,2E)-2-hydroxyiminocyclopentyl]methanol
CID 44519169
(1R)-1-[2,8-bis(trifluoromethyl)quinolin-4-yl]ethanol
CID 125493987
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-[1-(cyclopentylamino)propan-2-ylamino]ethanol
CID 54577876
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[1-(cyclopentylamino)propan-2-ylamino]methanol
CID 71592220
1-[2,8-bis(trifluoromethyl)quinolin-4-yl]-2-pyrrolidin-1-ylethanol
CID 23004032
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[2-(cyclopropylamino)ethylamino]methanol
CID 71592319
[2,8-bis(trifluoromethyl)quinolin-4-yl]-(1-pentylpiperidin-2-yl)methanol
CID 126761882
[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 57258588
CID 46897345
CID 46897345

Frequently Asked Questions

What is the IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol?
The IUPAC name of [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol (CID 59451320) is [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol.
What is the SMILES notation for [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol?
The canonical SMILES for [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol is OC(c1cc(C(F)(F)F)nc2c(C(F)(F)F)cccc12)C1CCCC1.
What is the InChIKey of [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol?
The InChIKey is DSXUZMCUDQCJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6NO/c18-16(19,20)12-7-3-6-10-11(15(25)9-4-1-2-5-9)8-13(17(21,22)23)24-14(10)12/h3,6-9,15,25H,1-2,4-5H2.
What are the key properties of [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol?
[2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol has a molecular weight of 363.30 g/mol, XLogP of 5.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,8-bis(trifluoromethyl)quinolin-4-yl]-cyclopentylmethanol is sourced from PubChem (CID 59451320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).