(Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine

C7H11F2N — CID 168998747

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

About (Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine

(Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine (PubChem CID 168998747) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is (Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine.

Molecular Properties

Compound Name(Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine
PubChem CID168998747
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name(Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine
SMILESC/C=C(C)\C(=N\C)C(F)F
InChIInChI=1S/C7H11F2N/c1-4-5(2)6(10-3)7(8)9/h4,7H,1-3H3/b5-4-,10-6-
InChIKeyITLMAQFAVAVPDG-ARSRRCBKSA-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

(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
3-Methyl-6-(trifluoromethyl)-2,3-dihydropyridine
CID 67489736
(2R)-5-(difluoromethyl)-2,4-dimethyl-2H-pyrrole
CID 89101610
(Z)-6,6-difluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 91123661
1,1,1-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 118281586
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
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-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-N-methyl-3-(trifluoromethyl)hex-3-en-2-imine
CID 123199800
(Z)-N-(trifluoromethyl)hex-4-en-3-imine
CID 123213688
(Z)-2-fluoro-N,4-dimethylhex-4-en-3-imine
CID 123257135

Frequently Asked Questions

What is the IUPAC name of (Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine?
The IUPAC name of (Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine (CID 168998747) is (Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine.
What is the SMILES notation for (Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine?
The canonical SMILES for (Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine is C/C=C(C)\C(=N\C)C(F)F.
What is the InChIKey of (Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine?
The InChIKey is ITLMAQFAVAVPDG-ARSRRCBKSA-N. The full InChI is InChI=1S/C7H11F2N/c1-4-5(2)6(10-3)7(8)9/h4,7H,1-3H3/b5-4-,10-6-.
What are the key properties of (Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine?
(Z)-1,1-difluoro-N,3-dimethylpent-3-en-2-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)-1,1-difluoro-N,3-dimethylpent-3-en-2-imine is sourced from PubChem (CID 168998747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).