1,1-difluoro-2-iminopropan-1-amine

C3H6F2N2 — CID 130243047

IUPAC1,1-difluoro-2-iminopropan-1-amine
SMILES[H]/N=C(\C)C(N)(F)F
InChIInChI=1S/C3H6F2N2/c1-2(6)3(4,5)7/h6H,7H2,1H3/b6-2+
InChIKeyJBIAUENTUPYWOY-QHHAFSJGSA-N
MW108.09 g/mol
LogP0.58
Rot. Bonds1

About 1,1-difluoro-2-iminopropan-1-amine

1,1-difluoro-2-iminopropan-1-amine (PubChem CID 130243047) has the molecular formula C3H6F2N2 and a molecular weight of 108.09 g/mol. Its IUPAC name is 1,1-difluoro-2-iminopropan-1-amine.

Molecular Properties

Compound Name1,1-difluoro-2-iminopropan-1-amine
PubChem CID130243047
Molecular FormulaC3H6F2N2
Molecular Weight108.09 g/mol
Exact Mass108.05
IUPAC Name1,1-difluoro-2-iminopropan-1-amine
SMILES[H]/N=C(\C)C(N)(F)F
InChIInChI=1S/C3H6F2N2/c1-2(6)3(4,5)7/h6H,7H2,1H3/b6-2+
InChIKeyJBIAUENTUPYWOY-QHHAFSJGSA-N
XLogP0.58
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.09
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoropropan-2-imine
CID 15353570
Fluoroacetonimine
CID 129764569
1,3-Difluoropropan-2-imine
CID 20530616
[1-(Trifluoromethyl)ethenyl]hydrazine
CID 22172780
1,1,1-Trifluorobutan-2-imine
CID 53693032
1,1,1-Trifluoropropan-2-ylidenehydrazine
CID 59016631
(E)-1,1,1-trifluoropropan-2-ylidenehydrazine
CID 87482383
4,4,4-Trifluorobutan-2-imine
CID 89064103
1,1-Difluorobutan-2-imine
CID 123348605
3,3-Difluorobutan-2-imine
CID 135181750
1,1-Difluoropropan-2-imine
CID 144150099
1,1-Difluorobutane-2,3-diimine
CID 166121793

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-iminopropan-1-amine?
The IUPAC name of 1,1-difluoro-2-iminopropan-1-amine (CID 130243047) is 1,1-difluoro-2-iminopropan-1-amine.
What is the SMILES notation for 1,1-difluoro-2-iminopropan-1-amine?
The canonical SMILES for 1,1-difluoro-2-iminopropan-1-amine is [H]/N=C(\C)C(N)(F)F.
What is the InChIKey of 1,1-difluoro-2-iminopropan-1-amine?
The InChIKey is JBIAUENTUPYWOY-QHHAFSJGSA-N. The full InChI is InChI=1S/C3H6F2N2/c1-2(6)3(4,5)7/h6H,7H2,1H3/b6-2+.
What are the key properties of 1,1-difluoro-2-iminopropan-1-amine?
1,1-difluoro-2-iminopropan-1-amine has a molecular weight of 108.09 g/mol, XLogP of 0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-iminopropan-1-amine is sourced from PubChem (CID 130243047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).