(Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine

C7H10FN — CID 137446288

IUPAC(Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\C(F)=C/C
InChIInChI=1S/C7H10FN/c1-4-7(8)9-5-6(2)3/h4-5H,2H2,1,3H3/b7-4-,9-5-
InChIKeyIXAMNSFWLARKPL-HZLSWQDRSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine

(Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine (PubChem CID 137446288) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
PubChem CID137446288
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine
SMILESC=C(C)/C=N\C(F)=C/C
InChIInChI=1S/C7H10FN/c1-4-7(8)9-5-6(2)3/h4-5H,2H2,1,3H3/b7-4-,9-5-
InChIKeyIXAMNSFWLARKPL-HZLSWQDRSA-N
XLogP2.46
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.16
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(trifluoromethyl)but-2-en-1-imine
CID 123716011
N-(1-fluoroprop-1-enyl)propan-1-imine
CID 123958310
(E)-N-ethyl-2-(trifluoromethyl)but-2-en-1-imine
CID 124182063
(E)-N-methyl-2-(trifluoromethyl)but-2-en-1-imine
CID 124184066
(2Z)-N-ethyl-2-(fluoromethylidene)butan-1-imine
CID 134189354
(Z)-3-fluoro-N,2-dimethylprop-2-en-1-imine
CID 134189427
2-(fluoromethyl)-N-methylprop-2-en-1-imine
CID 139563768
N-ethyl-2-(trifluoromethyl)prop-2-en-1-imine
CID 139563812
(E)-3-fluoro-2-methyl-N-[(Z)-prop-1-enyl]but-2-en-1-imine
CID 142010094
2-methyl-N-(3,3,3-trifluoroprop-1-en-2-yl)prop-2-en-1-imine
CID 142067133
N-prop-1-en-2-yl-2-(trifluoromethyl)prop-2-en-1-imine
CID 143383155
(Z)-N-(1-fluoro-2-methylprop-1-enyl)prop-2-en-1-imine
CID 143420585

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine?
The IUPAC name of (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine (CID 137446288) is (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine.
What is the SMILES notation for (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine?
The canonical SMILES for (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine is C=C(C)/C=N\C(F)=C/C.
What is the InChIKey of (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine?
The InChIKey is IXAMNSFWLARKPL-HZLSWQDRSA-N. The full InChI is InChI=1S/C7H10FN/c1-4-7(8)9-5-6(2)3/h4-5H,2H2,1,3H3/b7-4-,9-5-.
What are the key properties of (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine?
(Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(E)-1-fluoroprop-1-enyl]-2-methylprop-2-en-1-imine is sourced from PubChem (CID 137446288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).