1,3-difluoro-2-methylpropan-1-amine

C4H9F2N — CID 57262947

IUPAC1,3-difluoro-2-methylpropan-1-amine
SMILESCC(CF)C(N)F
InChIInChI=1S/C4H9F2N/c1-3(2-5)4(6)7/h3-4H,2,7H2,1H3
InChIKeyOJPMQQBAYNCADM-UHFFFAOYSA-N
MW109.12 g/mol
LogP0.85
Rot. Bonds2

About 1,3-difluoro-2-methylpropan-1-amine

1,3-difluoro-2-methylpropan-1-amine (PubChem CID 57262947) has the molecular formula C4H9F2N and a molecular weight of 109.12 g/mol. Its IUPAC name is 1,3-difluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name1,3-difluoro-2-methylpropan-1-amine
PubChem CID57262947
Molecular FormulaC4H9F2N
Molecular Weight109.12 g/mol
Exact Mass109.07
IUPAC Name1,3-difluoro-2-methylpropan-1-amine
SMILESCC(CF)C(N)F
InChIInChI=1S/C4H9F2N/c1-3(2-5)4(6)7/h3-4H,2,7H2,1H3
InChIKeyOJPMQQBAYNCADM-UHFFFAOYSA-N
XLogP0.85
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.12
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Isobutylamine
CID 6558
Isobutylammonium
CID 3041751
1-Propanamine, 2-methyl-, conjugate acid
CID 7311734
DL-2-Amino-3-methyl-1,1,1-trifluorobutane
CID 44717389
3,3,3-Trifluoro-2-methylpropan-1-amine hydrochloride
CID 13620757
4,4,4-Trifluoro-2-methylbutan-1-amine hydrochloride
CID 21841122
(2R)-4,4,4-trifluoro-2-methylbutan-1-amine
CID 10290842
1-Propanamine, 3,3,3-trifluoro-2-methyl-
CID 10351708
4,4,4-Trifluoro-3-methylbutan-1-amine
CID 10464414
N-fluoro-2-methylpropan-1-amine
CID 15525481
(2S)-3,3,3-trifluoro-2-methylpropan-1-amine
CID 86316220
4,4,4-Trifluoro-2-methylbutan-1-amine
CID 10197739

Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-methylpropan-1-amine?
The IUPAC name of 1,3-difluoro-2-methylpropan-1-amine (CID 57262947) is 1,3-difluoro-2-methylpropan-1-amine.
What is the SMILES notation for 1,3-difluoro-2-methylpropan-1-amine?
The canonical SMILES for 1,3-difluoro-2-methylpropan-1-amine is CC(CF)C(N)F.
What is the InChIKey of 1,3-difluoro-2-methylpropan-1-amine?
The InChIKey is OJPMQQBAYNCADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N/c1-3(2-5)4(6)7/h3-4H,2,7H2,1H3.
What are the key properties of 1,3-difluoro-2-methylpropan-1-amine?
1,3-difluoro-2-methylpropan-1-amine has a molecular weight of 109.12 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-methylpropan-1-amine is sourced from PubChem (CID 57262947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).