5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

C12H22F3NO — CID 104934177

IUPAC5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESOCCCCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-6-2-3-7-11(10)16-8-4-1-5-9-17/h10-11,16-17H,1-9H2
InChIKeyGYNXJNFRBPINEM-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.86
Rot. Bonds6

About 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol

5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (PubChem CID 104934177) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
PubChem CID104934177
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol
SMILESOCCCCCNC1CCCCC1C(F)(F)F
InChIInChI=1S/C12H22F3NO/c13-12(14,15)10-6-2-3-7-11(10)16-8-4-1-5-9-17/h10-11,16-17H,1-9H2
InChIKeyGYNXJNFRBPINEM-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
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 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The IUPAC name of 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol (CID 104934177) is 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol.
What is the SMILES notation for 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The canonical SMILES for 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is OCCCCCNC1CCCCC1C(F)(F)F.
What is the InChIKey of 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
The InChIKey is GYNXJNFRBPINEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)10-6-2-3-7-11(10)16-8-4-1-5-9-17/h10-11,16-17H,1-9H2.
What are the key properties of 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol?
5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol has a molecular weight of 253.31 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)cyclohexyl]amino]pentan-1-ol is sourced from PubChem (CID 104934177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).