cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol

C13H15F4NO — CID 155539293

IUPACcis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESO[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(F)cc1
InChIInChI=1S/C13H15F4NO/c14-9-4-6-10(7-5-9)18-11-3-1-2-8-12(11,19)13(15,16)17/h4-7,11,18-19H,1-3,8H2/t11-,12-/m1/s1
InChIKeyIESAJAZKMLPVIB-VXGBXAGGSA-N
MW277.26 g/mol
LogP3.47
Rot. Bonds2

About cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol

cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 155539293) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID155539293
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Namecis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESO[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(F)cc1
InChIInChI=1S/C13H15F4NO/c14-9-4-6-10(7-5-9)18-11-3-1-2-8-12(11,19)13(15,16)17/h4-7,11,18-19H,1-3,8H2/t11-,12-/m1/s1
InChIKeyIESAJAZKMLPVIB-VXGBXAGGSA-N
XLogP3.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R,4aR,8aR)-4-(4-fluoroanilino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 51039271
4-[[(1R,2R)-2-hydroxy-2-(trifluoromethyl)cyclohexyl]amino]benzonitrile
CID 172440309
cis-(1R,2R)-2-(4-chloroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 172440859
cis-(1R,2R)-2-(4-fluoro-N-methylanilino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 172445363
cis-(1R,2R)-2-(3-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 172449025
cis-(1R,2R)-2-[4-fluoro-N-(2-methoxyethyl)anilino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 172454649
cis-(1R,2R)-2-(5-fluoro-2,3-dihydroindol-1-yl)-1-(trifluoromethyl)cyclohexan-1-ol
CID 172457295
cis-(1R,2R)-2-(3-chloro-4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 172459010
cis-(1R,2R)-2-(4-chloro-3-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 172459621
cis-(1R,2R)-2-anilino-1-(trifluoromethyl)cyclohexan-1-ol
CID 172464425
4-[[2-Hydroxy-2-(trifluoromethyl)cyclohexyl]amino]-2-(trifluoromethyl)benzonitrile
CID 172464532
trans-(1R,2R)-2-[4-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 11172972

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol (CID 155539293) is cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol is O[C@]1(C(F)(F)F)CCCC[C@H]1Nc1ccc(F)cc1.
What is the InChIKey of cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is IESAJAZKMLPVIB-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-9-4-6-10(7-5-9)18-11-3-1-2-8-12(11,19)13(15,16)17/h4-7,11,18-19H,1-3,8H2/t11-,12-/m1/s1.
What are the key properties of cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol?
cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 277.26 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-(4-fluoroanilino)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 155539293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).