4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol

C13H16F3NO — CID 64758814

IUPAC4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
SMILESOc1ccc(NC2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-2-1-3-11(8-9)17-10-4-6-12(18)7-5-10/h4-7,9,11,17-18H,1-3,8H2
InChIKeyXVANYPREQFHLGW-UHFFFAOYSA-N
MW259.27 g/mol
LogP3.93
Rot. Bonds2

About 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol

4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol (PubChem CID 64758814) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol.

Molecular Properties

Compound Name4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
PubChem CID64758814
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol
SMILESOc1ccc(NC2CCCC(C(F)(F)F)C2)cc1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)9-2-1-3-11(8-9)17-10-4-6-12(18)7-5-10/h4-7,9,11,17-18H,1-3,8H2
InChIKeyXVANYPREQFHLGW-UHFFFAOYSA-N
XLogP3.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-5-amine
CID 107588030
2-fluoro-5-[[3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 64759606
N-[3-(trifluoromethyl)cyclohexyl]-1H-indazol-5-amine
CID 64759996
3-methoxy-N-[3-(trifluoromethyl)cyclohexyl]aniline
CID 64758791
3-[[3-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 64757163
6-[[3-(trifluoromethyl)cyclohexyl]amino]pyridazine-3-carboxamide
CID 133333827
N-(2-hydroxyethyl)-3-[[(1S,3S)-3-(trifluoromethyl)cyclohexyl]amino]benzamide
CID 99625911
4-(trifluoromethyl)-N-[3-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
CID 75414193
3-[[(R)-methylsulfinyl]methyl]-N-[(1S,3S)-3-(trifluoromethyl)cyclohexyl]aniline
CID 129381498
[(1R,3S)-3-(trifluoromethyl)cyclohexyl]hydrazine
CID 124506889
3-[1-[[3-(trifluoromethyl)cyclohexyl]amino]ethyl]phenol
CID 43747474
4-[[(1R,3R)-3-(trifluoromethyl)cyclohexyl]carbamoyl]benzoic acid
CID 124702550

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol?
The IUPAC name of 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol (CID 64758814) is 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol.
What is the SMILES notation for 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol?
The canonical SMILES for 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol is Oc1ccc(NC2CCCC(C(F)(F)F)C2)cc1.
What is the InChIKey of 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol?
The InChIKey is XVANYPREQFHLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)9-2-1-3-11(8-9)17-10-4-6-12(18)7-5-10/h4-7,9,11,17-18H,1-3,8H2.
What are the key properties of 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol?
4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol has a molecular weight of 259.27 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(trifluoromethyl)cyclohexyl]amino]phenol is sourced from PubChem (CID 64758814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).