(E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine

C6H8F4N2 — CID 118063031

IUPAC(E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine
SMILESC/C(=N\N=C(/C)C(F)F)C(F)F
InChIInChI=1S/C6H8F4N2/c1-3(5(7)8)11-12-4(2)6(9)10/h5-6H,1-2H3/b11-3+,12-4+
InChIKeyFZTAZMSABBMEKG-HMMKTVFPSA-N
MW184.14 g/mol
LogP2.35
Rot. Bonds3

About (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine

(E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine (PubChem CID 118063031) has the molecular formula C6H8F4N2 and a molecular weight of 184.14 g/mol. Its IUPAC name is (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine.

Molecular Properties

Compound Name(E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine
PubChem CID118063031
Molecular FormulaC6H8F4N2
Molecular Weight184.14 g/mol
Exact Mass184.06
IUPAC Name(E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine
SMILESC/C(=N\N=C(/C)C(F)F)C(F)F
InChIInChI=1S/C6H8F4N2/c1-3(5(7)8)11-12-4(2)6(9)10/h5-6H,1-2H3/b11-3+,12-4+
InChIKeyFZTAZMSABBMEKG-HMMKTVFPSA-N
XLogP2.35
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-(1,1-difluoropropan-2-ylidene)hydroxylamine
CID 22769389
1,1-difluoropropan-2-one;propan-2-one
CID 157104644
1,1-difluoro-N-(3-fluorophenyl)propan-2-imine
CID 130247360
1,1,2-trifluoro-3-methylbut-2-ene
CID 135261950
(Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine
CID 163880553
fluoroform;methanol
CID 161033158
(3E)-4-bromo-2-(difluoromethyl)penta-1,3-diene
CID 118401640
acetic acid;fluoroform
CID 87238268
ethane;N-[(2E)-1,1,3-trifluoro-4-methylpenta-2,4-dien-2-yl]methanimine
CID 156737282
(Z,3E)-3-(1-fluoroethylimino)-2-methylprop-1-en-1-amine
CID 156819096
(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine
CID 170442301
(3R)-3-fluorobutan-2-one
CID 638120

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine?
The IUPAC name of (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine (CID 118063031) is (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine.
What is the SMILES notation for (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine?
The canonical SMILES for (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine is C/C(=N\N=C(/C)C(F)F)C(F)F.
What is the InChIKey of (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine?
The InChIKey is FZTAZMSABBMEKG-HMMKTVFPSA-N. The full InChI is InChI=1S/C6H8F4N2/c1-3(5(7)8)11-12-4(2)6(9)10/h5-6H,1-2H3/b11-3+,12-4+.
What are the key properties of (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine?
(E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine has a molecular weight of 184.14 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-1,1-difluoropropan-2-ylideneamino]-1,1-difluoropropan-2-imine is sourced from PubChem (CID 118063031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).