cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol

C7H12F3NO — CID 95241025

IUPACcis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol
SMILESN[C@H]1CCCC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)4-2-1-3-5(6)11/h5,12H,1-4,11H2/t5-,6-/m0/s1
InChIKeyKWSACQWMYUUSMV-WDSKDSINSA-N
MW183.17 g/mol
LogP1.18
Rot. Bonds

About cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol

cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 95241025) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID95241025
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Namecis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol
SMILESN[C@H]1CCCC[C@@]1(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)4-2-1-3-5(6)11/h5,12H,1-4,11H2/t5-,6-/m0/s1
InChIKeyKWSACQWMYUUSMV-WDSKDSINSA-N
XLogP1.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,2R)-2-amino-1-(trifluoromethyl)cyclobutan-1-ol
CID 95241014
2-(2-aminoethyl)-1-(trifluoromethyl)cyclopentan-1-ol
CID 84733431
[2-fluoro-2-(trifluoromethyl)cyclohexyl]methanamine
CID 84733655
trans-(1S,2R)-2-amino-1-methylcyclohexan-1-ol
CID 10964528
cis-(1R,2R)-2-amino-1-ethenylcyclohexan-1-ol
CID 14219057
1-(trifluoromethyl)cyclopentan-1-ol
CID 23506080
1,2-diaminocyclopentan-1-ol
CID 22410822
3-amino-1-(trifluoromethyl)cyclohexan-1-ol
CID 50989727
trans-(1S,2S)-1-tert-butylcyclohexane-1,2-diol
CID 11969728
(8R)-spiro[2.5]octan-8-amine
CID 89147380
spiro[5.6]dodecan-12-amine
CID 15021866
(8S)-spiro[2.5]octan-8-amine
CID 89147381

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol (CID 95241025) is cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol is N[C@H]1CCCC[C@@]1(O)C(F)(F)F.
What is the InChIKey of cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is KWSACQWMYUUSMV-WDSKDSINSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(12)4-2-1-3-5(6)11/h5,12H,1-4,11H2/t5-,6-/m0/s1.
What are the key properties of cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol?
cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2S)-2-amino-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 95241025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).