1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol

C12H22F3NO — CID 115496242

IUPAC1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCCCCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)8-4-5-9-16-10-11(17)6-2-1-3-7-11/h16-17H,1-10H2
InChIKeyWUYGMKWCYAJUHQ-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.00
Rot. Bonds6

About 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol

1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol (PubChem CID 115496242) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol
PubChem CID115496242
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCCCCC(F)(F)F)CCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)8-4-5-9-16-10-11(17)6-2-1-3-7-11/h16-17H,1-10H2
InChIKeyWUYGMKWCYAJUHQ-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol (CID 115496242) is 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol is OC1(CNCCCCC(F)(F)F)CCCCC1.
What is the InChIKey of 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol?
The InChIKey is WUYGMKWCYAJUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)8-4-5-9-16-10-11(17)6-2-1-3-7-11/h16-17H,1-10H2.
What are the key properties of 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol?
1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,5,5-trifluoropentylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 115496242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).