4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol

C10H18F3NO — CID 115705446

IUPAC4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)NC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-8-3-5-9(15,6-4-8)10(11,12)13/h7-8,14-15H,3-6H2,1-2H3
InChIKeyOHIAGOXLERFBRQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds2

About 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol

4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 115705446) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID115705446
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)NC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-7(2)14-8-3-5-9(15,6-4-8)10(11,12)13/h7-8,14-15H,3-6H2,1-2H3
InChIKeyOHIAGOXLERFBRQ-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[(2S)-1-hydroxypropan-2-yl]amino]-1-(trifluoromethyl)cyclohexan-1-ol
CID 103788987
1,4-dimethylcyclohexane;4-methyl-N-propan-2-ylcyclohexan-1-amine
CID 158687236
N-propan-2-ylcycloheptanamine
CID 42562651
1-(trifluoromethyl)cyclobutan-1-ol;hydrochloride
CID 153410019
4-N-tert-butyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 58707400
4-N,4-N-dimethyl-1-N-propan-2-ylcyclohexane-1,4-diamine
CID 66569320
4-(propan-2-ylamino)cyclohexane-1,2-diol
CID 140651250
cis-(1R,3S)-3-(propan-2-ylamino)cyclopentan-1-ol
CID 130990833
N-propan-2-yl-3-(trifluoromethyl)cyclobutan-1-amine
CID 131104076
N-propan-2-yl-4-[2-[4-(propan-2-ylamino)cyclohexyl]propan-2-yl]cyclohexan-1-amine
CID 167000939
2,2-difluoro-2-(1-hydroxy-4-propan-2-ylcycloheptyl)acetic acid
CID 65090679
3-bromo-1-(trifluoromethyl)cyclopentan-1-ol
CID 84736355

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol (CID 115705446) is 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol is CC(C)NC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is OHIAGOXLERFBRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)14-8-3-5-9(15,6-4-8)10(11,12)13/h7-8,14-15H,3-6H2,1-2H3.
What are the key properties of 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 115705446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).