N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine

C9H16FN — CID 170732055

IUPACN-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine
SMILESCC/C(F)=C\N=C(/C)C(C)C
InChIInChI=1S/C9H16FN/c1-5-9(10)6-11-8(4)7(2)3/h6-7H,5H2,1-4H3/b9-6+,11-8+
InChIKeyKKVFCZWKLSBESY-DNLSTQPZSA-N
MW157.23 g/mol
LogP3.32
Rot. Bonds3

About N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine

N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine (PubChem CID 170732055) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine.

Molecular Properties

Compound NameN-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine
PubChem CID170732055
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC NameN-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine
SMILESCC/C(F)=C\N=C(/C)C(C)C
InChIInChI=1S/C9H16FN/c1-5-9(10)6-11-8(4)7(2)3/h6-7H,5H2,1-4H3/b9-6+,11-8+
InChIKeyKKVFCZWKLSBESY-DNLSTQPZSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 53.32
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-difluoro-3-methyl-N-[(Z)-3-methylbut-1-enyl]butan-2-imine
CID 139305458
5-Fluoro-2-propan-2-yl-3,4-dihydropyridine
CID 145484234
3-methyl-N-[(E)-2-(trifluoromethyl)but-1-enyl]butan-2-imine
CID 145484252
(3R)-5-fluoro-2,3-dimethyl-3,4-dihydropyridine
CID 155135101
2-Ethyl-5-fluoro-4-methyl-3,4-dihydropyridine
CID 156207077
3-fluoro-3-methyl-N-[(1Z)-2-propan-2-ylbuta-1,3-dienyl]butan-2-imine
CID 156394922
N-[(Z)-3,4-dimethylpent-1-enyl]-1-fluoropropan-2-imine
CID 167170105
N-[(E)-2,3-dimethylbut-1-enyl]-4-fluoro-4-methylpent-1-en-3-imine
CID 170144613
N-[(1E)-2-fluorobuta-1,3-dienyl]-3-methylbutan-2-imine
CID 170732083
N-ethenyl-2-fluoro-4-methylpent-1-en-3-imine
CID 171497204
(3R)-4-fluoro-2,3-dimethyl-3H-pyrrole
CID 174038258
N-[(1E)-2-fluoro-3-methylbuta-1,3-dienyl]pentan-2-imine
CID 168972313

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine?
The IUPAC name of N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine (CID 170732055) is N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine.
What is the SMILES notation for N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine?
The canonical SMILES for N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine is CC/C(F)=C\N=C(/C)C(C)C.
What is the InChIKey of N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine?
The InChIKey is KKVFCZWKLSBESY-DNLSTQPZSA-N. The full InChI is InChI=1S/C9H16FN/c1-5-9(10)6-11-8(4)7(2)3/h6-7H,5H2,1-4H3/b9-6+,11-8+.
What are the key properties of N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine?
N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine has a molecular weight of 157.23 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-fluorobut-1-enyl]-3-methylbutan-2-imine is sourced from PubChem (CID 170732055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).