trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol

C17H16F3NO — CID 127044467

IUPACtrans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESO[C@]1(c2ccccn2)CC[C@H](c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-6-4-12(5-7-14)13-8-9-16(22,11-13)15-3-1-2-10-21-15/h1-7,10,13,22H,8-9,11H2/t13-,16+/m0/s1
InChIKeySWUXARATNCEGDV-XJKSGUPXSA-N
MW307.32 g/mol
LogP4.26
Rot. Bonds2

About trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol

trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol (PubChem CID 127044467) has the molecular formula C17H16F3NO and a molecular weight of 307.32 g/mol. Its IUPAC name is trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
PubChem CID127044467
Molecular FormulaC17H16F3NO
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Nametrans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol
SMILESO[C@]1(c2ccccn2)CC[C@H](c2ccc(C(F)(F)F)cc2)C1
InChIInChI=1S/C17H16F3NO/c18-17(19,20)14-6-4-12(5-7-14)13-8-9-16(22,11-13)15-3-1-2-10-21-15/h1-7,10,13,22H,8-9,11H2/t13-,16+/m0/s1
InChIKeySWUXARATNCEGDV-XJKSGUPXSA-N
XLogP4.26
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol (CID 127044467) is trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol is O[C@]1(c2ccccn2)CC[C@H](c2ccc(C(F)(F)F)cc2)C1.
What is the InChIKey of trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
The InChIKey is SWUXARATNCEGDV-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H16F3NO/c18-17(19,20)14-6-4-12(5-7-14)13-8-9-16(22,11-13)15-3-1-2-10-21-15/h1-7,10,13,22H,8-9,11H2/t13-,16+/m0/s1.
What are the key properties of trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol?
trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol has a molecular weight of 307.32 g/mol, XLogP of 4.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-1-pyridin-2-yl-3-[4-(trifluoromethyl)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 127044467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).