3-amino-1,1,1-trifluoro-3-methylpentan-2-ol

C6H12F3NO — CID 131146867

IUPAC3-amino-1,1,1-trifluoro-3-methylpentan-2-ol
SMILESCCC(C)(N)C(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-5(2,10)4(11)6(7,8)9/h4,11H,3,10H2,1-2H3
InChIKeyWJXOXMIAQABRCG-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.04
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol

3-amino-1,1,1-trifluoro-3-methylpentan-2-ol (PubChem CID 131146867) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-3-methylpentan-2-ol
PubChem CID131146867
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name3-amino-1,1,1-trifluoro-3-methylpentan-2-ol
SMILESCCC(C)(N)C(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-3-5(2,10)4(11)6(7,8)9/h4,11H,3,10H2,1-2H3
InChIKeyWJXOXMIAQABRCG-UHFFFAOYSA-N
XLogP1.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol (CID 131146867) is 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol is CCC(C)(N)C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol?
The InChIKey is WJXOXMIAQABRCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-3-5(2,10)4(11)6(7,8)9/h4,11H,3,10H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol?
3-amino-1,1,1-trifluoro-3-methylpentan-2-ol has a molecular weight of 171.16 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-3-methylpentan-2-ol is sourced from PubChem (CID 131146867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).