cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol

C13H16F3NO — CID 139444270

IUPACcis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESN[C@@H]1CCC[C@](O)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-4-1-3-9(7-10)12(18)6-2-5-11(17)8-12/h1,3-4,7,11,18H,2,5-6,8,17H2/t11-,12-/m1/s1
InChIKeyNLOSPJQMNAFRMQ-VXGBXAGGSA-N
MW259.27 g/mol
LogP2.79
Rot. Bonds1

About cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol

cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (PubChem CID 139444270) has the molecular formula C13H16F3NO and a molecular weight of 259.27 g/mol. Its IUPAC name is cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
PubChem CID139444270
Molecular FormulaC13H16F3NO
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Namecis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
SMILESN[C@@H]1CCC[C@](O)(c2cccc(C(F)(F)F)c2)C1
InChIInChI=1S/C13H16F3NO/c14-13(15,16)10-4-1-3-9(7-10)12(18)6-2-5-11(17)8-12/h1,3-4,7,11,18H,2,5-6,8,17H2/t11-,12-/m1/s1
InChIKeyNLOSPJQMNAFRMQ-VXGBXAGGSA-N
XLogP2.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,3S,4S)-3,4-diamino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol;dihydrochloride
CID 139433706
3-amino-1-phenylcyclohexan-1-ol
CID 80562038
3-amino-1-[3-fluoro-4-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 107287648
3-[3-(trifluoromethyl)phenyl]-8-thiabicyclo[3.2.1]octan-3-ol
CID 171955702
4-fluoro-4-[3-(trifluoromethyl)phenyl]cyclohexan-1-amine
CID 112562450
3-amino-1-(3,5-difluorophenyl)cyclohexan-1-ol
CID 80562436
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
2,3-dimethyl-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol
CID 64754384
3-fluoro-3-[[3-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 112567629
potassium 4-[3-(trifluoromethyl)phenyl]piperidin-1-id-4-ol
CID 143698382
cis-(1S,2R)-2-methyl-2-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
CID 94419814
1-(3-fluorophenyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759467

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The IUPAC name of cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol (CID 139444270) is cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol.
What is the SMILES notation for cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The canonical SMILES for cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is N[C@@H]1CCC[C@](O)(c2cccc(C(F)(F)F)c2)C1.
What is the InChIKey of cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
The InChIKey is NLOSPJQMNAFRMQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C13H16F3NO/c14-13(15,16)10-4-1-3-9(7-10)12(18)6-2-5-11(17)8-12/h1,3-4,7,11,18H,2,5-6,8,17H2/t11-,12-/m1/s1.
What are the key properties of cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol?
cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol has a molecular weight of 259.27 g/mol, XLogP of 2.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,3R)-3-amino-1-[3-(trifluoromethyl)phenyl]cyclohexan-1-ol is sourced from PubChem (CID 139444270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).