4-(aminomethyl)-5,5,5-trifluoropentan-1-ol

C6H12F3NO — CID 88924319

IUPAC4-(aminomethyl)-5,5,5-trifluoropentan-1-ol
SMILESNCC(CCCO)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)5(4-10)2-1-3-11/h5,11H,1-4,10H2
InChIKeyYVRYLWNMSRDDLY-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.90
Rot. Bonds4

About 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol

4-(aminomethyl)-5,5,5-trifluoropentan-1-ol (PubChem CID 88924319) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol.

Molecular Properties

Compound Name4-(aminomethyl)-5,5,5-trifluoropentan-1-ol
PubChem CID88924319
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name4-(aminomethyl)-5,5,5-trifluoropentan-1-ol
SMILESNCC(CCCO)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)5(4-10)2-1-3-11/h5,11H,1-4,10H2
InChIKeyYVRYLWNMSRDDLY-UHFFFAOYSA-N
XLogP0.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol?
The IUPAC name of 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol (CID 88924319) is 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol.
What is the SMILES notation for 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol?
The canonical SMILES for 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol is NCC(CCCO)C(F)(F)F.
What is the InChIKey of 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol?
The InChIKey is YVRYLWNMSRDDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c7-6(8,9)5(4-10)2-1-3-11/h5,11H,1-4,10H2.
What are the key properties of 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol?
4-(aminomethyl)-5,5,5-trifluoropentan-1-ol has a molecular weight of 171.16 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-5,5,5-trifluoropentan-1-ol is sourced from PubChem (CID 88924319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).