(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol

C17H14F5NO2 — CID 71555441

IUPAC(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CC(F)(F)C1
InChIInChI=1S/C17H14F5NO2/c18-16(19)9-15(10-16,14(24)13-3-1-2-8-23-13)11-4-6-12(7-5-11)25-17(20,21)22/h1-8,14,24H,9-10H2/t14-/m1/s1
InChIKeyFQHZSWUTWIAWID-CQSZACIVSA-N
MW359.29 g/mol
LogP4.38
Rot. Bonds4

About (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol

(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol (PubChem CID 71555441) has the molecular formula C17H14F5NO2 and a molecular weight of 359.29 g/mol. Its IUPAC name is (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
PubChem CID71555441
Molecular FormulaC17H14F5NO2
Molecular Weight359.29 g/mol
Exact Mass359.09
IUPAC Name(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol
SMILESO[C@H](c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CC(F)(F)C1
InChIInChI=1S/C17H14F5NO2/c18-16(19)9-15(10-16,14(24)13-3-1-2-8-23-13)11-4-6-12(7-5-11)25-17(20,21)22/h1-8,14,24H,9-10H2/t14-/m1/s1
InChIKeyFQHZSWUTWIAWID-CQSZACIVSA-N
XLogP4.38
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-yl-2-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]ethanol
CID 66749821
pyrimidin-2-yl-[1-[4-(trifluoromethoxy)phenyl]cyclobutyl]methanol
CID 56653029
[1-methyl-4-[2-(trifluoromethoxy)phenyl]piperidin-4-yl]-pyridin-2-ylmethanol
CID 71555149
[3-(4-methoxyphenyl)oxolan-3-yl]-pyridin-2-ylmethanol
CID 71522366
(1R)-1-pyridin-2-yl-N-[[4-(trifluoromethoxy)phenyl]methyl]ethanamine
CID 28647890
3-[(R)-hydroxy(pyridin-2-yl)methyl]-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 71555740
propan-2-ol;trifluoromethoxybenzene
CID 161029707
[4-(3,4-difluorophenyl)oxan-4-yl]-pyridin-2-ylmethanol
CID 56654416
3-[hydroxy(pyridin-2-yl)methyl]-3-[4-(trifluoromethyl)-2-pyridinyl]cyclobutan-1-ol
CID 78110101
1-(1-phenylcyclopropyl)-2-pyridin-2-ylpropan-1-ol
CID 66459097
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
1-[4-(trifluoromethoxy)phenyl]cyclopropan-1-ol
CID 130058643

Frequently Asked Questions

What is the IUPAC name of (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol?
The IUPAC name of (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol (CID 71555441) is (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol.
What is the SMILES notation for (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol?
The canonical SMILES for (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol is O[C@H](c1ccccn1)C1(c2ccc(OC(F)(F)F)cc2)CC(F)(F)C1.
What is the InChIKey of (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol?
The InChIKey is FQHZSWUTWIAWID-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14F5NO2/c18-16(19)9-15(10-16,14(24)13-3-1-2-8-23-13)11-4-6-12(7-5-11)25-17(20,21)22/h1-8,14,24H,9-10H2/t14-/m1/s1.
What are the key properties of (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol?
(S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol has a molecular weight of 359.29 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[3,3-difluoro-1-[4-(trifluoromethoxy)phenyl]cyclobutyl]-pyridin-2-ylmethanol is sourced from PubChem (CID 71555441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).