3-(aminomethyl)-1,1,1-trifluoropentan-2-ol

C6H12F3NO — CID 54267698

IUPAC3-(aminomethyl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(CN)C(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-4(3-10)5(11)6(7,8)9/h4-5,11H,2-3,10H2,1H3
InChIKeyRHXLGQYOTSRNSZ-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.89
Rot. Bonds3

About 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol

3-(aminomethyl)-1,1,1-trifluoropentan-2-ol (PubChem CID 54267698) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol.

Molecular Properties

Compound Name3-(aminomethyl)-1,1,1-trifluoropentan-2-ol
PubChem CID54267698
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name3-(aminomethyl)-1,1,1-trifluoropentan-2-ol
SMILESCCC(CN)C(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-4(3-10)5(11)6(7,8)9/h4-5,11H,2-3,10H2,1H3
InChIKeyRHXLGQYOTSRNSZ-UHFFFAOYSA-N
XLogP0.89
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol?
The IUPAC name of 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol (CID 54267698) is 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol.
What is the SMILES notation for 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol?
The canonical SMILES for 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol is CCC(CN)C(O)C(F)(F)F.
What is the InChIKey of 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol?
The InChIKey is RHXLGQYOTSRNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-4(3-10)5(11)6(7,8)9/h4-5,11H,2-3,10H2,1H3.
What are the key properties of 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol?
3-(aminomethyl)-1,1,1-trifluoropentan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1,1,1-trifluoropentan-2-ol is sourced from PubChem (CID 54267698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).