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

C5H10F3NO — CID 19936550

IUPAC3-amino-1,1,1-trifluoro-3-methylbutan-2-ol
SMILESCC(C)(N)C(O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(2,9)3(10)5(6,7)8/h3,10H,9H2,1-2H3
InChIKeyNJBGWLOACYNJPC-UHFFFAOYSA-N
MW157.13 g/mol
LogP0.65
Rot. Bonds1

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

3-amino-1,1,1-trifluoro-3-methylbutan-2-ol (PubChem CID 19936550) has the molecular formula C5H10F3NO and a molecular weight of 157.13 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-3-methylbutan-2-ol
PubChem CID19936550
Molecular FormulaC5H10F3NO
Molecular Weight157.13 g/mol
Exact Mass157.07
IUPAC Name3-amino-1,1,1-trifluoro-3-methylbutan-2-ol
SMILESCC(C)(N)C(O)C(F)(F)F
InChIInChI=1S/C5H10F3NO/c1-4(2,9)3(10)5(6,7)8/h3,10H,9H2,1-2H3
InChIKeyNJBGWLOACYNJPC-UHFFFAOYSA-N
XLogP0.65
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-Amino-3-methylbutan-2-ol
CID 13319222
3-Amino-3-methylbutan-2-ol hydrochloride
CID 13319223
3-Amino-1,1,1-trifluoro-3-methylbutan-2-ol hydrochloride
CID 19936549
2-Amino-3,3,3-trifluoro-2-methylpropan-1-ol hydrochloride
CID 76453004
2-Amino-4,4,4-trifluoro-2-methylbutan-1-ol
CID 84071980
2-Amino-4,4-difluoro-2-methylbutan-1-ol hydrochloride
CID 145867329
3-Amino-1,1-difluoro-3-methylbutan-2-ol
CID 66037155
2-Amino-3,3-difluoro-2-methylpropan-1-ol hydrochloride
CID 137944855
(R)-2-Amino-3,3,3-trifluoro-2-methylpropan-1-ol hydrochloride
CID 56970085
(2R)-2-amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 56970086
2-Amino-3,3,3-trifluoro-2-methylpropan-1-ol
CID 76453005
4-Amino-1,1,1-trifluoro-4-methylpentan-2-ol
CID 82412172

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol (CID 19936550) is 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol is CC(C)(N)C(O)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol?
The InChIKey is NJBGWLOACYNJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO/c1-4(2,9)3(10)5(6,7)8/h3,10H,9H2,1-2H3.
What are the key properties of 3-amino-1,1,1-trifluoro-3-methylbutan-2-ol?
3-amino-1,1,1-trifluoro-3-methylbutan-2-ol has a molecular weight of 157.13 g/mol, XLogP of 0.65, 1 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-methylbutan-2-ol is sourced from PubChem (CID 19936550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).