(Z)-3-fluoro-4-methylhex-3-en-2-imine

C7H12FN — CID 156837493

IUPAC(Z)-3-fluoro-4-methylhex-3-en-2-imine
SMILES[H]/N=C(C)/C(F)=C(\C)CC
InChIInChI=1S/C7H12FN/c1-4-5(2)7(8)6(3)9/h9H,4H2,1-3H3/b7-5-,9-6+
InChIKeyJRGHKHKFZWBFSP-XCZNYUDNSA-N
MW129.18 g/mol
LogP2.68
Rot. Bonds2

About (Z)-3-fluoro-4-methylhex-3-en-2-imine

(Z)-3-fluoro-4-methylhex-3-en-2-imine (PubChem CID 156837493) has the molecular formula C7H12FN and a molecular weight of 129.18 g/mol. Its IUPAC name is (Z)-3-fluoro-4-methylhex-3-en-2-imine.

Molecular Properties

Compound Name(Z)-3-fluoro-4-methylhex-3-en-2-imine
PubChem CID156837493
Molecular FormulaC7H12FN
Molecular Weight129.18 g/mol
Exact Mass129.10
IUPAC Name(Z)-3-fluoro-4-methylhex-3-en-2-imine
SMILES[H]/N=C(C)/C(F)=C(\C)CC
InChIInChI=1S/C7H12FN/c1-4-5(2)7(8)6(3)9/h9H,4H2,1-3H3/b7-5-,9-6+
InChIKeyJRGHKHKFZWBFSP-XCZNYUDNSA-N
XLogP2.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.18
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(E)-1,5-difluoro-3-methylpent-3-en-2-imine
CID 134932492
(4E)-4-fluorohepta-1,4-dien-3-imine
CID 91304230
(3E)-3-fluoro-5-methylhexa-3,5-dien-2-imine
CID 91342165
1,1,1-Trifluoro-4-methylpent-3-en-2-imine
CID 118281607
(E)-3-fluorohex-3-en-2-imine
CID 123164683
(E)-4-fluoro-5-methylhex-3-en-2-imine
CID 123219991
(E)-3-fluoropent-3-en-2-imine
CID 123367626
4-Fluorohexa-1,4-dien-3-imine
CID 123515356
(E)-4-fluoropent-3-en-2-imine
CID 123517635
(4E)-4-fluorohexa-1,4-dien-3-imine
CID 123863187
2-Fluoro-5-methylhexa-1,4-dien-3-imine
CID 123879479
3-Fluoropent-3-en-2-imine
CID 123962053

Frequently Asked Questions

What is the IUPAC name of (Z)-3-fluoro-4-methylhex-3-en-2-imine?
The IUPAC name of (Z)-3-fluoro-4-methylhex-3-en-2-imine (CID 156837493) is (Z)-3-fluoro-4-methylhex-3-en-2-imine.
What is the SMILES notation for (Z)-3-fluoro-4-methylhex-3-en-2-imine?
The canonical SMILES for (Z)-3-fluoro-4-methylhex-3-en-2-imine is [H]/N=C(C)/C(F)=C(\C)CC.
What is the InChIKey of (Z)-3-fluoro-4-methylhex-3-en-2-imine?
The InChIKey is JRGHKHKFZWBFSP-XCZNYUDNSA-N. The full InChI is InChI=1S/C7H12FN/c1-4-5(2)7(8)6(3)9/h9H,4H2,1-3H3/b7-5-,9-6+.
What are the key properties of (Z)-3-fluoro-4-methylhex-3-en-2-imine?
(Z)-3-fluoro-4-methylhex-3-en-2-imine has a molecular weight of 129.18 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-fluoro-4-methylhex-3-en-2-imine is sourced from PubChem (CID 156837493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).