1,1-difluoro-N-methylpropan-2-imine

C4H7F2N — CID 123319591

IUPAC1,1-difluoro-N-methylpropan-2-imine
SMILESC/N=C(\C)C(F)F
InChIInChI=1S/C4H7F2N/c1-3(7-2)4(5)6/h4H,1-2H3/b7-3+
InChIKeyXAWBDWXMTMFNHV-XVNBXDOJSA-N
MW107.10 g/mol
LogP1.34
Rot. Bonds1

About 1,1-difluoro-N-methylpropan-2-imine

1,1-difluoro-N-methylpropan-2-imine (PubChem CID 123319591) has the molecular formula C4H7F2N and a molecular weight of 107.10 g/mol. Its IUPAC name is 1,1-difluoro-N-methylpropan-2-imine.

Molecular Properties

Compound Name1,1-difluoro-N-methylpropan-2-imine
PubChem CID123319591
Molecular FormulaC4H7F2N
Molecular Weight107.10 g/mol
Exact Mass107.05
IUPAC Name1,1-difluoro-N-methylpropan-2-imine
SMILESC/N=C(\C)C(F)F
InChIInChI=1S/C4H7F2N/c1-3(7-2)4(5)6/h4H,1-2H3/b7-3+
InChIKeyXAWBDWXMTMFNHV-XVNBXDOJSA-N
XLogP1.34
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.10
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Isopropylimino-1,1,1-trifluoropropane
CID 2759496
1,1,1-Trifluoro-4-methyl-3-azapent-3-ene
CID 3719001
N-ethyl-1,1,1-trifluoropropan-2-imine
CID 54405088
1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine
CID 59948137
3,3-difluoro-4-methyl-2H-azete
CID 89294454
1,1,1-trifluoro-N-methylpropan-2-imine
CID 89398469
3,3,4,4,4-pentafluoro-N-methylbutan-2-imine
CID 91388068
1,1,1,2,2-pentafluoro-N-methylpentan-3-imine
CID 91461386
1,1,1-trifluoro-2-N,4-N-dimethylpentane-2,4-diimine
CID 118002011
1,1-difluoro-N-propan-2-ylpropan-2-imine
CID 118395128
3,3-difluoro-N-methylbutan-2-imine
CID 118402616
N-butyl-1,1,1-trifluoropropan-2-imine
CID 123325308

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-methylpropan-2-imine?
The IUPAC name of 1,1-difluoro-N-methylpropan-2-imine (CID 123319591) is 1,1-difluoro-N-methylpropan-2-imine.
What is the SMILES notation for 1,1-difluoro-N-methylpropan-2-imine?
The canonical SMILES for 1,1-difluoro-N-methylpropan-2-imine is C/N=C(\C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-methylpropan-2-imine?
The InChIKey is XAWBDWXMTMFNHV-XVNBXDOJSA-N. The full InChI is InChI=1S/C4H7F2N/c1-3(7-2)4(5)6/h4H,1-2H3/b7-3+.
What are the key properties of 1,1-difluoro-N-methylpropan-2-imine?
1,1-difluoro-N-methylpropan-2-imine has a molecular weight of 107.10 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-methylpropan-2-imine is sourced from PubChem (CID 123319591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).