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

C5H11F2NO — CID 66037155

IUPAC3-amino-1,1-difluoro-3-methylbutan-2-ol
SMILESCC(C)(N)C(O)C(F)F
InChIInChI=1S/C5H11F2NO/c1-5(2,8)3(9)4(6)7/h3-4,9H,8H2,1-2H3
InChIKeyNJGUDFYWFJFLDD-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.35
Rot. Bonds2

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

3-amino-1,1-difluoro-3-methylbutan-2-ol (PubChem CID 66037155) has the molecular formula C5H11F2NO and a molecular weight of 139.15 g/mol. Its IUPAC name is 3-amino-1,1-difluoro-3-methylbutan-2-ol.

Molecular Properties

Compound Name3-amino-1,1-difluoro-3-methylbutan-2-ol
PubChem CID66037155
Molecular FormulaC5H11F2NO
Molecular Weight139.15 g/mol
Exact Mass139.08
IUPAC Name3-amino-1,1-difluoro-3-methylbutan-2-ol
SMILESCC(C)(N)C(O)C(F)F
InChIInChI=1S/C5H11F2NO/c1-5(2,8)3(9)4(6)7/h3-4,9H,8H2,1-2H3
InChIKeyNJGUDFYWFJFLDD-UHFFFAOYSA-N
XLogP0.35
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.35
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
2-Amino-3,3-difluoro-2-methylpropan-1-ol hydrochloride
CID 137944855
2-Butanol, 3-amino-1,1,1-trifluoro-3-methyl-
CID 19936550
(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-difluoro-3-methylbutan-2-ol?
The IUPAC name of 3-amino-1,1-difluoro-3-methylbutan-2-ol (CID 66037155) is 3-amino-1,1-difluoro-3-methylbutan-2-ol.
What is the SMILES notation for 3-amino-1,1-difluoro-3-methylbutan-2-ol?
The canonical SMILES for 3-amino-1,1-difluoro-3-methylbutan-2-ol is CC(C)(N)C(O)C(F)F.
What is the InChIKey of 3-amino-1,1-difluoro-3-methylbutan-2-ol?
The InChIKey is NJGUDFYWFJFLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NO/c1-5(2,8)3(9)4(6)7/h3-4,9H,8H2,1-2H3.
What are the key properties of 3-amino-1,1-difluoro-3-methylbutan-2-ol?
3-amino-1,1-difluoro-3-methylbutan-2-ol has a molecular weight of 139.15 g/mol, XLogP of 0.35, 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-difluoro-3-methylbutan-2-ol is sourced from PubChem (CID 66037155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).