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

C12H14F3NO2 — CID 102732976

IUPACtrans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-9-6-4-8(5-7-9)16-10-2-1-3-11(10)17/h4-7,10-11,16-17H,1-3H2/t10-,11-/m0/s1
InChIKeyAUGZTHNOPXJSBL-QWRGUYRKSA-N
MW261.24 g/mol
LogP2.91
Rot. Bonds3

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

trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol (PubChem CID 102732976) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol
PubChem CID102732976
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Nametrans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)18-9-6-4-8(5-7-9)16-10-2-1-3-11(10)17/h4-7,10-11,16-17H,1-3H2/t10-,11-/m0/s1
InChIKeyAUGZTHNOPXJSBL-QWRGUYRKSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-(2-methylcyclopentyl)-4-(trifluoromethoxy)aniline
CID 65046957
trans-(1S,2S)-2-[4-(trifluoromethyl)anilino]cyclopentan-1-ol
CID 102732964
2-[4-(trifluoromethoxy)anilino]cyclohexane-1-carbonitrile
CID 62742030
trans-(1R,2R)-2-(4-methoxyanilino)cyclooctan-1-ol
CID 15891180
2-(4-iodoanilino)cyclopentan-1-ol
CID 60886056
trans-(1S,2S)-2-(4-chloroanilino)cyclopentan-1-ol
CID 93345854
trans-(1S,2S)-2-(4-methylanilino)cyclopentan-1-ol
CID 93345908
N-(3-cyclopropylcyclohexyl)-4-(trifluoromethoxy)aniline
CID 64593461
N-[(1R,2R)-2-hydroxycyclohexyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 155061379
trans-(1R,2S)-2-[4-(trifluoromethoxy)phenyl]cyclopentan-1-ol
CID 91657528
2-(4-ethoxyanilino)cyclohexan-1-ol
CID 60883757
2-(4-tert-butylanilino)cyclohexan-1-ol
CID 60884412

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol (CID 102732976) is trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol is O[C@H]1CCC[C@@H]1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol?
The InChIKey is AUGZTHNOPXJSBL-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)18-9-6-4-8(5-7-9)16-10-2-1-3-11(10)17/h4-7,10-11,16-17H,1-3H2/t10-,11-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol?
trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol has a molecular weight of 261.24 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[4-(trifluoromethoxy)anilino]cyclopentan-1-ol is sourced from PubChem (CID 102732976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).