(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine

C11H16FN — CID 166976514

IUPAC(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine
SMILESC=CC/N=C(C)/C(F)=C(\C)C(=C)C
InChIInChI=1S/C11H16FN/c1-6-7-13-10(5)11(12)9(4)8(2)3/h6H,1-2,7H2,3-5H3/b11-9-,13-10+
InChIKeyRWPXGUHZICKHPA-SZJZEYKYSA-N
MW181.25 g/mol
LogP3.45
Rot. Bonds4

About (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine

(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine (PubChem CID 166976514) has the molecular formula C11H16FN and a molecular weight of 181.25 g/mol. Its IUPAC name is (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine
PubChem CID166976514
Molecular FormulaC11H16FN
Molecular Weight181.25 g/mol
Exact Mass181.13
IUPAC Name(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine
SMILESC=CC/N=C(C)/C(F)=C(\C)C(=C)C
InChIInChI=1S/C11H16FN/c1-6-7-13-10(5)11(12)9(4)8(2)3/h6H,1-2,7H2,3-5H3/b11-9-,13-10+
InChIKeyRWPXGUHZICKHPA-SZJZEYKYSA-N
XLogP3.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.25
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine?
The IUPAC name of (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine (CID 166976514) is (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine.
What is the SMILES notation for (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine?
The canonical SMILES for (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine is C=CC/N=C(C)/C(F)=C(\C)C(=C)C.
What is the InChIKey of (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine?
The InChIKey is RWPXGUHZICKHPA-SZJZEYKYSA-N. The full InChI is InChI=1S/C11H16FN/c1-6-7-13-10(5)11(12)9(4)8(2)3/h6H,1-2,7H2,3-5H3/b11-9-,13-10+.
What are the key properties of (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine?
(3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine has a molecular weight of 181.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-fluoro-4,5-dimethyl-N-prop-2-enylhexa-3,5-dien-2-imine is sourced from PubChem (CID 166976514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).