(E)-4-(difluoromethyl)hex-4-en-3-imine

C7H11F2N — CID 145086064

IUPAC(E)-4-(difluoromethyl)hex-4-en-3-imine
SMILES[H]/N=C(CC)/C(=C\C)C(F)F
InChIInChI=1S/C7H11F2N/c1-3-5(7(8)9)6(10)4-2/h3,7,10H,4H2,1-2H3/b5-3+,10-6+
InChIKeyKEDRYASQQDJXAN-YBRHCDHNSA-N
MW147.17 g/mol
LogP2.63
Rot. Bonds3

About (E)-4-(difluoromethyl)hex-4-en-3-imine

(E)-4-(difluoromethyl)hex-4-en-3-imine (PubChem CID 145086064) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (E)-4-(difluoromethyl)hex-4-en-3-imine.

Molecular Properties

Compound Name(E)-4-(difluoromethyl)hex-4-en-3-imine
PubChem CID145086064
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(E)-4-(difluoromethyl)hex-4-en-3-imine
SMILES[H]/N=C(CC)/C(=C\C)C(F)F
InChIInChI=1S/C7H11F2N/c1-3-5(7(8)9)6(10)4-2/h3,7,10H,4H2,1-2H3/b5-3+,10-6+
InChIKeyKEDRYASQQDJXAN-YBRHCDHNSA-N
XLogP2.63
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
(E)-1,1,1,5,5,5-hexafluoro-3-methylpent-3-en-2-imine
CID 134996458
(E)-1,1,1,2,2,6,6,7,7,7-decafluoro-4-methylhept-4-en-3-imine
CID 134996532
3-Methyl-2-cyclopentenimine
CID 91232431
(E)-5-fluorohex-4-en-3-imine
CID 91325186
(3Z)-5-fluoro-3-methylhexa-3,5-dien-2-imine
CID 91576140
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
(3E,5Z)-3-(trifluoromethyl)hepta-3,5-dien-2-imine
CID 122417254
1-Cyclohexa-1,4-dien-1-yl-2,2,2-trifluoroethanimine
CID 123220668
5-Methyl-3,4-bis(trifluoromethyl)hepta-3,5-dien-2-imine
CID 123298954
(Z)-6-fluorohex-4-en-3-imine
CID 123311862
(3Z)-5-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123318040

Frequently Asked Questions

What is the IUPAC name of (E)-4-(difluoromethyl)hex-4-en-3-imine?
The IUPAC name of (E)-4-(difluoromethyl)hex-4-en-3-imine (CID 145086064) is (E)-4-(difluoromethyl)hex-4-en-3-imine.
What is the SMILES notation for (E)-4-(difluoromethyl)hex-4-en-3-imine?
The canonical SMILES for (E)-4-(difluoromethyl)hex-4-en-3-imine is [H]/N=C(CC)/C(=C\C)C(F)F.
What is the InChIKey of (E)-4-(difluoromethyl)hex-4-en-3-imine?
The InChIKey is KEDRYASQQDJXAN-YBRHCDHNSA-N. The full InChI is InChI=1S/C7H11F2N/c1-3-5(7(8)9)6(10)4-2/h3,7,10H,4H2,1-2H3/b5-3+,10-6+.
What are the key properties of (E)-4-(difluoromethyl)hex-4-en-3-imine?
(E)-4-(difluoromethyl)hex-4-en-3-imine has a molecular weight of 147.17 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(difluoromethyl)hex-4-en-3-imine is sourced from PubChem (CID 145086064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).