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

C6H8FN — CID 89419008

IUPAC(2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C(F)=C(\C)C=C
InChIInChI=1S/C6H8FN/c1-3-5(2)6(7)4-8/h3-4,8H,1H2,2H3/b6-5-,8-4+
InChIKeyCXZZWLJKGFXHHQ-QNMAEOQASA-N
MW113.13 g/mol
LogP2.07
Rot. Bonds2

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

(2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine (PubChem CID 89419008) has the molecular formula C6H8FN and a molecular weight of 113.13 g/mol. Its IUPAC name is (2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine
PubChem CID89419008
Molecular FormulaC6H8FN
Molecular Weight113.13 g/mol
Exact Mass113.06
IUPAC Name(2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine
SMILES[H]/N=C/C(F)=C(\C)C=C
InChIInChI=1S/C6H8FN/c1-3-5(2)6(7)4-8/h3-4,8H,1H2,2H3/b6-5-,8-4+
InChIKeyCXZZWLJKGFXHHQ-QNMAEOQASA-N
XLogP2.07
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.13
LogP ≤ 52.07
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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Related Compounds

(2Z,4E)-5-fluoro-2-methylpenta-2,4-dien-1-imine
CID 89141297
(2Z,4E)-4-fluoro-3-methylhexa-2,4-dien-1-imine
CID 90273683
(2Z,4E)-5-fluoro-4-methylhexa-2,4-dien-1-imine
CID 117805560
(2Z,4E)-4-fluoro-2-methylhexa-2,4-dien-1-imine
CID 117805607
(2Z,4E)-2-ethyl-4-fluorohexa-2,4-dien-1-imine
CID 118569105
2-Fluorohexa-2,4-dien-1-imine
CID 124022932
(2Z,4E)-5-fluoro-2-methylhexa-2,4-dien-1-imine
CID 141983460
(2Z)-2-ethenyl-3-fluoropenta-2,4-dien-1-imine
CID 143678605
(2E,4E)-2-fluorohepta-2,4-dien-1-imine
CID 145395916
(2E)-3-ethenyl-2,4-difluoropenta-2,4-dien-1-imine
CID 145755087
(2Z,4Z)-5-fluoro-4-methylpenta-2,4-dien-1-imine
CID 148480677
(2E,3Z,6E,8Z)-2-ethylidene-6-fluoro-5-methylidenedeca-3,6,8-trien-1-imine
CID 156073483

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine?
The IUPAC name of (2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine (CID 89419008) is (2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine is [H]/N=C/C(F)=C(\C)C=C.
What is the InChIKey of (2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine?
The InChIKey is CXZZWLJKGFXHHQ-QNMAEOQASA-N. The full InChI is InChI=1S/C6H8FN/c1-3-5(2)6(7)4-8/h3-4,8H,1H2,2H3/b6-5-,8-4+.
What are the key properties of (2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine?
(2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine has a molecular weight of 113.13 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-fluoro-3-methylpenta-2,4-dien-1-imine is sourced from PubChem (CID 89419008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).