trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol

C12H13F3O2 — CID 91657528

IUPACtrans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)17-9-6-4-8(5-7-9)10-2-1-3-11(10)16/h4-7,10-11,16H,1-3H2/t10-,11+/m0/s1
InChIKeyURPIKQNBBUAGNC-WDEREUQCSA-N
MW246.23 g/mol
LogP3.21
Rot. Bonds2

About trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol

trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol (PubChem CID 91657528) has the molecular formula C12H13F3O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol
PubChem CID91657528
Molecular FormulaC12H13F3O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Nametrans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol
SMILESO[C@@H]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H13F3O2/c13-12(14,15)17-9-6-4-8(5-7-9)10-2-1-3-11(10)16/h4-7,10-11,16H,1-3H2/t10-,11+/m0/s1
InChIKeyURPIKQNBBUAGNC-WDEREUQCSA-N
XLogP3.21
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,2S)-2-[3-(trifluoromethoxy)phenyl]cyclohexan-1-ol
CID 91657247
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]cyclopentane-1-carboxamide
CID 18006320
cis-(1R,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 51888219
2-[4-(trifluoromethoxy)phenyl]cyclopropan-1-amine
CID 22619922
trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol
CID 102732976
4-[(1S,2R)-2-hydroxycyclopentyl]phenol
CID 163763811
cis-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopropane-1-carboxylic acid
CID 51888095
(3aR,7aS)-2-[4-(trifluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98353834
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
(1S)-1-[(1S,2R)-2-[4-(trifluoromethoxy)phenyl]cyclopropyl]ethanol
CID 124747303
1-(4-fluorocyclohexyl)-4-(trifluoromethoxy)benzene
CID 23539864
2-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentan-1-ol
CID 107289990

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The IUPAC name of trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol (CID 91657528) is trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol.
What is the SMILES notation for trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The canonical SMILES for trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol is O[C@@H]1CCC[C@H]1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
The InChIKey is URPIKQNBBUAGNC-WDEREUQCSA-N. The full InChI is InChI=1S/C12H13F3O2/c13-12(14,15)17-9-6-4-8(5-7-9)10-2-1-3-11(10)16/h4-7,10-11,16H,1-3H2/t10-,11+/m0/s1.
What are the key properties of trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol?
trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol has a molecular weight of 246.23 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol is sourced from PubChem (CID 91657528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).