(Z)-2,2-difluoro-N-methylhex-4-en-3-imine

C7H11F2N — CID 144510685

IUPAC(Z)-2,2-difluoro-N-methylhex-4-en-3-imine
SMILESC/C=C\C(=N/C)C(C)(F)F
InChIInChI=1S/C7H11F2N/c1-4-5-6(10-3)7(2,8)9/h4-5H,1-3H3/b5-4-,10-6+
InChIKeyLHPXJDVFCXGYGZ-VWJYOPCBSA-N
MW147.17 g/mol
LogP2.29
Rot. Bonds2

About (Z)-2,2-difluoro-N-methylhex-4-en-3-imine

(Z)-2,2-difluoro-N-methylhex-4-en-3-imine (PubChem CID 144510685) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (Z)-2,2-difluoro-N-methylhex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-2,2-difluoro-N-methylhex-4-en-3-imine
PubChem CID144510685
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(Z)-2,2-difluoro-N-methylhex-4-en-3-imine
SMILESC/C=C\C(=N/C)C(C)(F)F
InChIInChI=1S/C7H11F2N/c1-4-5-6(10-3)7(2,8)9/h4-5H,1-3H3/b5-4-,10-6+
InChIKeyLHPXJDVFCXGYGZ-VWJYOPCBSA-N
XLogP2.29
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.29
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

6-Ethyl-2,3-dihydropyridine
CID 58693567
3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
(2S)-6-(2-fluoroethyl)-2-methyl-2,3-dihydropyridine
CID 67991646
(2S)-6-(fluoromethyl)-2-methyl-2,3-dihydropyridine
CID 67991648
2-(Fluoromethyl)-6-methyl-2,3-dihydropyridine
CID 70459540
3-Fluoro-6-methyl-2,3-dihydropyridine
CID 89932263
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
4-fluoro-N-methylcyclohepta-2,6-dien-1-imine
CID 91613012
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-trifluoro-N,4-dimethylhex-3-en-2-imine
CID 123152051
1,1,1-trifluoro-N-methylhex-3-en-2-imine
CID 123164940
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800

Frequently Asked Questions

What is the IUPAC name of (Z)-2,2-difluoro-N-methylhex-4-en-3-imine?
The IUPAC name of (Z)-2,2-difluoro-N-methylhex-4-en-3-imine (CID 144510685) is (Z)-2,2-difluoro-N-methylhex-4-en-3-imine.
What is the SMILES notation for (Z)-2,2-difluoro-N-methylhex-4-en-3-imine?
The canonical SMILES for (Z)-2,2-difluoro-N-methylhex-4-en-3-imine is C/C=C\C(=N/C)C(C)(F)F.
What is the InChIKey of (Z)-2,2-difluoro-N-methylhex-4-en-3-imine?
The InChIKey is LHPXJDVFCXGYGZ-VWJYOPCBSA-N. The full InChI is InChI=1S/C7H11F2N/c1-4-5-6(10-3)7(2,8)9/h4-5H,1-3H3/b5-4-,10-6+.
What are the key properties of (Z)-2,2-difluoro-N-methylhex-4-en-3-imine?
(Z)-2,2-difluoro-N-methylhex-4-en-3-imine has a molecular weight of 147.17 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,2-difluoro-N-methylhex-4-en-3-imine is sourced from PubChem (CID 144510685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).