4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol

C13H24F3NO — CID 115519605

IUPAC4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(CCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-10-17-11-4-8-12(18,9-5-11)6-3-7-13(14,15)16/h11,17-18H,2-10H2,1H3
InChIKeyPKXQADOSYBITLH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.39
Rot. Bonds6

About 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol

4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol (PubChem CID 115519605) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol
PubChem CID115519605
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(CCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-10-17-11-4-8-12(18,9-5-11)6-3-7-13(14,15)16/h11,17-18H,2-10H2,1H3
InChIKeyPKXQADOSYBITLH-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-dimethyl-N-(5,5,5-trifluoropentyl)cyclohexan-1-amine
CID 115491425
4-propyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039992
N-propyl-3-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82789902
3-(4,4,4-trifluorobutyl)-8-thiabicyclo[3.2.1]octan-3-ol
CID 171964307
3-(4,4,4-trifluorobutyl)azetidin-3-ol
CID 115515613
1-(4,4,4-trifluorobutyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 113326765
4-(2-methylpropyl)-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 177148467
4-(4,4,4-trifluorobutyl)azepan-4-ol
CID 103982859
2,2-dimethyl-N-propyl-5-(4,4,4-trifluorobutoxy)cyclopentan-1-amine
CID 82789739
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
1-[(4-chloro-3-fluorophenyl)methyl]-4-(propylamino)cyclohexan-1-ol
CID 107889043
3-ethyl-N-(4,4,4-trifluorobutyl)cyclohexan-1-amine
CID 79039078

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol?
The IUPAC name of 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol (CID 115519605) is 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol?
The canonical SMILES for 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol is CCCNC1CCC(O)(CCCC(F)(F)F)CC1.
What is the InChIKey of 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol?
The InChIKey is PKXQADOSYBITLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-10-17-11-4-8-12(18,9-5-11)6-3-7-13(14,15)16/h11,17-18H,2-10H2,1H3.
What are the key properties of 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol?
4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-1-(4,4,4-trifluorobutyl)cyclohexan-1-ol is sourced from PubChem (CID 115519605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).