4-amino-1,1,1-trifluoro-4-methylpentan-2-ol

C6H12F3NO — CID 82412172

IUPAC4-amino-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)(N)CC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(2,10)3-4(11)6(7,8)9/h4,11H,3,10H2,1-2H3
InChIKeyVZAUVJPPWAZAON-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.04
Rot. Bonds2

About 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol

4-amino-1,1,1-trifluoro-4-methylpentan-2-ol (PubChem CID 82412172) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol.

Molecular Properties

Compound Name4-amino-1,1,1-trifluoro-4-methylpentan-2-ol
PubChem CID82412172
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name4-amino-1,1,1-trifluoro-4-methylpentan-2-ol
SMILESCC(C)(N)CC(O)C(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-5(2,10)3-4(11)6(7,8)9/h4,11H,3,10H2,1-2H3
InChIKeyVZAUVJPPWAZAON-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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Related Compounds

4-Amino-4-methylpentan-2-ol
CID 95405
3-Amino-1,1-difluoro-3-methylbutan-2-ol
CID 66037155
5-Amino-4,4-difluoro-2,5-dimethylhexan-3-ol hydrochloride
CID 155943800
2-Butanol, 3-amino-1,1,1-trifluoro-3-methyl-
CID 19936550
4-Amino-3,3-difluoro-2,4-dimethylpentan-2-ol
CID 118477321
4-Amino-1,1,1,2,2-pentafluoro-4-methylpentan-3-ol
CID 66038819
2-Amino-4,4,5,5,6,6,6-heptafluoro-2-methylhexan-3-ol
CID 66039063
3-(1-Aminocyclopropyl)-1,1,1-trifluoropropan-2-ol
CID 82412962
(2S)-3-amino-1,1,1-trifluoro-3-methylbutan-2-ol
CID 88364254
(2R)-3-amino-1,1,1-trifluoro-3-methylbutan-2-ol
CID 88364258
3-Amino-4,4,4-trifluoro-3-methylbutan-1-OL
CID 130041264
3-Amino-1,1,1-trifluoro-3-methylpentan-2-ol
CID 131146867

Frequently Asked Questions

What is the IUPAC name of 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol?
The IUPAC name of 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol (CID 82412172) is 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol.
What is the SMILES notation for 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol?
The canonical SMILES for 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol is CC(C)(N)CC(O)C(F)(F)F.
What is the InChIKey of 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol?
The InChIKey is VZAUVJPPWAZAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-5(2,10)3-4(11)6(7,8)9/h4,11H,3,10H2,1-2H3.
What are the key properties of 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol?
4-amino-1,1,1-trifluoro-4-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 4-amino-1,1,1-trifluoro-4-methylpentan-2-ol is sourced from PubChem (CID 82412172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).