5-amino-3-(trifluoromethyl)pentan-1-ol

C6H12F3NO — CID 102537616

IUPAC5-amino-3-(trifluoromethyl)pentan-1-ol
SMILESNCCC(CCO)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)5(1-3-10)2-4-11/h5,11H,1-4,10H2
InChIKeyMXQHNVRDDZGFCO-UHFFFAOYSA-N
MW171.16 g/mol
LogP0.90
Rot. Bonds4

About 5-amino-3-(trifluoromethyl)pentan-1-ol

5-amino-3-(trifluoromethyl)pentan-1-ol (PubChem CID 102537616) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 5-amino-3-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name5-amino-3-(trifluoromethyl)pentan-1-ol
PubChem CID102537616
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name5-amino-3-(trifluoromethyl)pentan-1-ol
SMILESNCCC(CCO)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c7-6(8,9)5(1-3-10)2-4-11/h5,11H,1-4,10H2
InChIKeyMXQHNVRDDZGFCO-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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 5-amino-3-(trifluoromethyl)pentan-1-ol (CID 102537616) is 5-amino-3-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 5-amino-3-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 5-amino-3-(trifluoromethyl)pentan-1-ol is NCCC(CCO)C(F)(F)F.
What is the InChIKey of 5-amino-3-(trifluoromethyl)pentan-1-ol?
The InChIKey is MXQHNVRDDZGFCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c7-6(8,9)5(1-3-10)2-4-11/h5,11H,1-4,10H2.
What are the key properties of 5-amino-3-(trifluoromethyl)pentan-1-ol?
5-amino-3-(trifluoromethyl)pentan-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 5-amino-3-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 102537616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).