(1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol

C12H11F3O — CID 122393737

IUPAC(1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@H](c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H11F3O/c13-12(14,15)11-4-2-1-3-10(11)8-5-6-9(16)7-8/h1-6,8-9,16H,7H2/t8-,9+/m0/s1
InChIKeyKCBTYUDOLYNDDI-DTWKUNHWSA-N
MW228.21 g/mol
LogP3.11
Rot. Bonds1

About (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol

(1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol (PubChem CID 122393737) has the molecular formula C12H11F3O and a molecular weight of 228.21 g/mol. Its IUPAC name is (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol
PubChem CID122393737
Molecular FormulaC12H11F3O
Molecular Weight228.21 g/mol
Exact Mass228.08
IUPAC Name(1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol
SMILESO[C@@H]1C=C[C@H](c2ccccc2C(F)(F)F)C1
InChIInChI=1S/C12H11F3O/c13-12(14,15)11-4-2-1-3-10(11)8-5-6-9(16)7-8/h1-6,8-9,16H,7H2/t8-,9+/m0/s1
InChIKeyKCBTYUDOLYNDDI-DTWKUNHWSA-N
XLogP3.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromocyclopropyl)-2-(trifluoromethyl)benzene
CID 130539881
(1S,2S,4S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine
CID 139433627
(1S)-1-[(1R,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]ethanol
CID 28912537
trans-(1S,2S)-4-[2-(trifluoromethyl)phenyl]cyclohexane-1,2-diamine;dihydrochloride
CID 161413657
1-chloro-3-[2-(trifluoromethyl)phenyl]cycloheptane
CID 64507732
5-[2-(trifluoromethyl)phenyl]-3a,4,5,7a-tetrahydro-1H-pyrrolo[2,3-b]pyridine
CID 142811632
[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 44572757
(3aS,6aS)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 140698565
4-hydroxy-5-[2-(trifluoromethyl)phenyl]cyclopentane-1,2,3-trione
CID 173480467
(3aR,6aR)-5-[2-(trifluoromethyl)phenyl]-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole
CID 130365993
1-(trifluoromethyl)-9,10-dihydroanthracene-9,10-diol
CID 151562848
ethyl 2-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]benzoate
CID 135039820

Frequently Asked Questions

What is the IUPAC name of (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol?
The IUPAC name of (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol (CID 122393737) is (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol is O[C@@H]1C=C[C@H](c2ccccc2C(F)(F)F)C1.
What is the InChIKey of (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol?
The InChIKey is KCBTYUDOLYNDDI-DTWKUNHWSA-N. The full InChI is InChI=1S/C12H11F3O/c13-12(14,15)11-4-2-1-3-10(11)8-5-6-9(16)7-8/h1-6,8-9,16H,7H2/t8-,9+/m0/s1.
What are the key properties of (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol?
(1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol has a molecular weight of 228.21 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R)-4-[2-(trifluoromethyl)phenyl]cyclopent-2-en-1-ol is sourced from PubChem (CID 122393737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).