(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine

C7H10FN — CID 90273683

IUPAC(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(C)\C(F)=C/C
InChIInChI=1S/C7H10FN/c1-3-7(8)6(2)4-5-9/h3-5,9H,1-2H3/b6-4-,7-3+,9-5+
InChIKeyVQCXKFMVPBTLAJ-ADHCNMQWSA-N
MW127.16 g/mol
LogP2.46
Rot. Bonds2

About (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine

(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine (PubChem CID 90273683) has the molecular formula C7H10FN and a molecular weight of 127.16 g/mol. Its IUPAC name is (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
PubChem CID90273683
Molecular FormulaC7H10FN
Molecular Weight127.16 g/mol
Exact Mass127.08
IUPAC Name(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
SMILES[H]/N=C/C=C(C)\C(F)=C/C
InChIInChI=1S/C7H10FN/c1-3-7(8)6(2)4-5-9/h3-5,9H,1-2H3/b6-4-,7-3+,9-5+
InChIKeyVQCXKFMVPBTLAJ-ADHCNMQWSA-N
XLogP2.46
TPSA23.85 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine?
The IUPAC name of (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine (CID 90273683) is (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine.
What is the SMILES notation for (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine?
The canonical SMILES for (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine is [H]/N=C/C=C(C)\C(F)=C/C.
What is the InChIKey of (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine?
The InChIKey is VQCXKFMVPBTLAJ-ADHCNMQWSA-N. The full InChI is InChI=1S/C7H10FN/c1-3-7(8)6(2)4-5-9/h3-5,9H,1-2H3/b6-4-,7-3+,9-5+.
What are the key properties of (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine?
(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine has a molecular weight of 127.16 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine is sourced from PubChem (CID 90273683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).