1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C12H22F3NO — CID 79416179

IUPAC1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCC(CN)C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-2-4-10(8-16)11(17)6-3-5-9(7-11)12(13,14)15/h9-10,17H,2-8,16H2,1H3
InChIKeyWTDWFDICICIIAL-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.85
Rot. Bonds4

About 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79416179) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79416179
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCCC(CN)C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-2-4-10(8-16)11(17)6-3-5-9(7-11)12(13,14)15/h9-10,17H,2-8,16H2,1H3
InChIKeyWTDWFDICICIIAL-UHFFFAOYSA-N
XLogP2.85
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 79416179) is 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is CCCC(CN)C1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is WTDWFDICICIIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-4-10(8-16)11(17)6-3-5-9(7-11)12(13,14)15/h9-10,17H,2-8,16H2,1H3.
What are the key properties of 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopentan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79416179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).