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

C4H9F2NO — CID 80611068

IUPAC3-amino-1,1-difluoro-2-methylpropan-2-ol
SMILESCC(O)(CN)C(F)F
InChIInChI=1S/C4H9F2NO/c1-4(8,2-7)3(5)6/h3,8H,2,7H2,1H3
InChIKeyWQTBUMDCJTZBIX-UHFFFAOYSA-N
MW125.12 g/mol
LogP-0.04
Rot. Bonds2

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

3-amino-1,1-difluoro-2-methylpropan-2-ol (PubChem CID 80611068) has the molecular formula C4H9F2NO and a molecular weight of 125.12 g/mol. Its IUPAC name is 3-amino-1,1-difluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-amino-1,1-difluoro-2-methylpropan-2-ol
PubChem CID80611068
Molecular FormulaC4H9F2NO
Molecular Weight125.12 g/mol
Exact Mass125.07
IUPAC Name3-amino-1,1-difluoro-2-methylpropan-2-ol
SMILESCC(O)(CN)C(F)F
InChIInChI=1S/C4H9F2NO/c1-4(8,2-7)3(5)6/h3,8H,2,7H2,1H3
InChIKeyWQTBUMDCJTZBIX-UHFFFAOYSA-N
XLogP-0.04
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.12
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Propanol, 1-amino-2-methyl-
CID 95102
3-Amino-1,1,1-trifluoro-2-(trifluoromethyl)propan-2-ol
CID 12023677
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol hydrochloride
CID 71757351
(S)-3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol
CID 58442301
3-Amino-1,1,1-trifluoro-2-methylpropan-2-ol
CID 13620759
1,1,1-Trifluoro-2-methyl-3-(methylamino)propan-2-ol
CID 18720359
2-Butanol,3-amino-1,1,1-trifluoro-2-methyl-,(2R,3S)-
CID 21585367
2-Propanol, 3-amino-2-(aminomethyl)-1,1,1-trifluoro-
CID 24809748
2-(Aminomethyl)-1,1,1-trifluorobutan-2-ol
CID 55255128
3-Amino-4,4,4-trifluoro-2-methylbutan-2-ol hydrochloride
CID 57436252
3-Amino-4,4,4-trifluoro-2-methylbutan-2-ol
CID 57436253
2-(Aminomethyl)-1,1,1-trifluoro-3-methylbutan-2-ol
CID 58442343

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1-difluoro-2-methylpropan-2-ol?
The IUPAC name of 3-amino-1,1-difluoro-2-methylpropan-2-ol (CID 80611068) is 3-amino-1,1-difluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-amino-1,1-difluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-amino-1,1-difluoro-2-methylpropan-2-ol is CC(O)(CN)C(F)F.
What is the InChIKey of 3-amino-1,1-difluoro-2-methylpropan-2-ol?
The InChIKey is WQTBUMDCJTZBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO/c1-4(8,2-7)3(5)6/h3,8H,2,7H2,1H3.
What are the key properties of 3-amino-1,1-difluoro-2-methylpropan-2-ol?
3-amino-1,1-difluoro-2-methylpropan-2-ol has a molecular weight of 125.12 g/mol, XLogP of -0.04, 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-difluoro-2-methylpropan-2-ol is sourced from PubChem (CID 80611068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).