2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol

C10H18F3NO — CID 64910973

IUPAC2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-6-14-7-8-3-1-2-4-9(8)15/h8-9,14-15H,1-7H2
InChIKeyFDLAGCOQACUKKP-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.08
Rot. Bonds4

About 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol

2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (PubChem CID 64910973) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
PubChem CID64910973
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)5-6-14-7-8-3-1-2-4-9(8)15/h8-9,14-15H,1-7H2
InChIKeyFDLAGCOQACUKKP-UHFFFAOYSA-N
XLogP2.08
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.08
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 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol (CID 64910973) is 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNCCC(F)(F)F.
What is the InChIKey of 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
The InChIKey is FDLAGCOQACUKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)5-6-14-7-8-3-1-2-4-9(8)15/h8-9,14-15H,1-7H2.
What are the key properties of 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol?
2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,3,3-trifluoropropylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64910973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).