N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine

C7H11F2N — CID 123912308

IUPACN-(3,3-difluoro-2-methylbut-1-enyl)ethanimine
SMILESC/C=N/C=C(C)C(C)(F)F
InChIInChI=1S/C7H11F2N/c1-4-10-5-6(2)7(3,8)9/h4-5H,1-3H3/b6-5?,10-4+
InChIKeyDATKUVHOSMECBI-QPXSKLCYSA-N
MW147.17 g/mol
LogP2.64
Rot. Bonds2

About N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine

N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine (PubChem CID 123912308) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine.

Molecular Properties

Compound NameN-(3,3-difluoro-2-methylbut-1-enyl)ethanimine
PubChem CID123912308
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-(3,3-difluoro-2-methylbut-1-enyl)ethanimine
SMILESC/C=N/C=C(C)C(C)(F)F
InChIInChI=1S/C7H11F2N/c1-4-10-5-6(2)7(3,8)9/h4-5H,1-3H3/b6-5?,10-4+
InChIKeyDATKUVHOSMECBI-QPXSKLCYSA-N
XLogP2.64
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 ≤ 52.64
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

N-[(E)-2-methylbut-1-enyl]methanimidoyl fluoride
CID 89513791
N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine
CID 118668915
3,3-difluoro-N-methyl-2-methylidenebutan-1-imine
CID 123703338
4-(trifluoromethyl)-3H-pyrrole
CID 125344261
N-[(E)-3-fluoro-2-methylbut-1-enyl]methanimine
CID 130279947
N-[(E)-2-(difluoromethyl)but-1-enyl]methanimine
CID 137409517
N-[(E)-2-(trifluoromethyl)but-1-enyl]methanimine
CID 137409528
4,4,4-trifluoro-N-[(E)-2,3,3-trimethylbut-1-enyl]butan-1-imine
CID 142360122
N-[(E)-2,3-dimethylbut-1-enyl]-4,4,4-trifluorobutan-1-imine;ethane
CID 142399738
N-[(Z)-2-methylbut-1-enyl]ethanimidoyl fluoride
CID 143494963
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
(Z)-N-[(E)-1-fluoro-2-methylbut-1-enyl]ethanimine
CID 143782166

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine?
The IUPAC name of N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine (CID 123912308) is N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine.
What is the SMILES notation for N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine?
The canonical SMILES for N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine is C/C=N/C=C(C)C(C)(F)F.
What is the InChIKey of N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine?
The InChIKey is DATKUVHOSMECBI-QPXSKLCYSA-N. The full InChI is InChI=1S/C7H11F2N/c1-4-10-5-6(2)7(3,8)9/h4-5H,1-3H3/b6-5?,10-4+.
What are the key properties of N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine?
N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine has a molecular weight of 147.17 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-methylbut-1-enyl)ethanimine is sourced from PubChem (CID 123912308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).