4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol

C10H18F3NO — CID 80559451

IUPAC4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-2-7-14-8-3-5-9(15,6-4-8)10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyFMOIFEJNAKPKCW-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.22
Rot. Bonds3

About 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol

4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 80559451) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID80559451
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCNC1CCC(O)(C(F)(F)F)CC1
InChIInChI=1S/C10H18F3NO/c1-2-7-14-8-3-5-9(15,6-4-8)10(11,12)13/h8,14-15H,2-7H2,1H3
InChIKeyFMOIFEJNAKPKCW-UHFFFAOYSA-N
XLogP2.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol (CID 80559451) is 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol is CCCNC1CCC(O)(C(F)(F)F)CC1.
What is the InChIKey of 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is FMOIFEJNAKPKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-7-14-8-3-5-9(15,6-4-8)10(11,12)13/h8,14-15H,2-7H2,1H3.
What are the key properties of 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol?
4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 80559451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).