1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine

C9H13F2N — CID 162620455

IUPAC1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine
SMILESC/C=C/N=C(/C=C(C)C)C(F)F
InChIInChI=1S/C9H13F2N/c1-4-5-12-8(9(10)11)6-7(2)3/h4-6,9H,1-3H3/b5-4+,12-8-
InChIKeyPISQGYYFZMFALF-OVWGVEBBSA-N
MW173.21 g/mol
LogP3.19
Rot. Bonds3

About 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine

1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine (PubChem CID 162620455) has the molecular formula C9H13F2N and a molecular weight of 173.21 g/mol. Its IUPAC name is 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine.

Molecular Properties

Compound Name1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine
PubChem CID162620455
Molecular FormulaC9H13F2N
Molecular Weight173.21 g/mol
Exact Mass173.10
IUPAC Name1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine
SMILESC/C=C/N=C(/C=C(C)C)C(F)F
InChIInChI=1S/C9H13F2N/c1-4-5-12-8(9(10)11)6-7(2)3/h4-6,9H,1-3H3/b5-4+,12-8-
InChIKeyPISQGYYFZMFALF-OVWGVEBBSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 53.19
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

1,1,1-trifluoro-N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900846
3-propan-2-yl-7-(trifluoromethyl)-4H-azepine
CID 90882163
N-[(E)-1,1-difluoro-3-methylpent-2-en-2-yl]prop-2-en-1-imine
CID 117825719
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
(E)-N-butan-2-yl-1,1,5,5-tetrafluoro-4-methylpent-3-en-2-imine
CID 123185746
(E)-5,5,5-trifluoro-N,4-dimethylpent-3-en-2-imine
CID 123696234
(3E)-N-ethyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123705581
(4E)-5,6,6-trimethyl-N-(2,2,2-trifluoroethyl)hepta-1,4-dien-3-imine
CID 123788699
(3E)-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-2-imine
CID 123905830
(E)-N-methyl-4-(trifluoromethyl)hex-3-en-2-imine
CID 123923109
(Z)-4,4,4-trifluoro-3-[(Z)-pent-2-en-3-yl]iminobut-1-en-1-amine
CID 126672163

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine?
The IUPAC name of 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine (CID 162620455) is 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine.
What is the SMILES notation for 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine?
The canonical SMILES for 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine is C/C=C/N=C(/C=C(C)C)C(F)F.
What is the InChIKey of 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine?
The InChIKey is PISQGYYFZMFALF-OVWGVEBBSA-N. The full InChI is InChI=1S/C9H13F2N/c1-4-5-12-8(9(10)11)6-7(2)3/h4-6,9H,1-3H3/b5-4+,12-8-.
What are the key properties of 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine?
1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine has a molecular weight of 173.21 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methyl-N-[(E)-prop-1-enyl]pent-3-en-2-imine is sourced from PubChem (CID 162620455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).