(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine

C9H15F2N — CID 170257046

IUPAC(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine
SMILES[H]/N=C(C)/C(CF)=C(\C)C(F)CC
InChIInChI=1S/C9H15F2N/c1-4-9(11)6(2)8(5-10)7(3)12/h9,12H,4-5H2,1-3H3/b8-6+,12-7+
InChIKeyCJNUCMCBJLUGNQ-ULBORTECSA-N
MW175.22 g/mol
LogP3.06
Rot. Bonds4

About (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine

(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine (PubChem CID 170257046) has the molecular formula C9H15F2N and a molecular weight of 175.22 g/mol. Its IUPAC name is (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine.

Molecular Properties

Compound Name(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine
PubChem CID170257046
Molecular FormulaC9H15F2N
Molecular Weight175.22 g/mol
Exact Mass175.12
IUPAC Name(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine
SMILES[H]/N=C(C)/C(CF)=C(\C)C(F)CC
InChIInChI=1S/C9H15F2N/c1-4-9(11)6(2)8(5-10)7(3)12/h9,12H,4-5H2,1-3H3/b8-6+,12-7+
InChIKeyCJNUCMCBJLUGNQ-ULBORTECSA-N
XLogP3.06
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.22
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine?
The IUPAC name of (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine (CID 170257046) is (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine.
What is the SMILES notation for (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine?
The canonical SMILES for (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine is [H]/N=C(C)/C(CF)=C(\C)C(F)CC.
What is the InChIKey of (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine?
The InChIKey is CJNUCMCBJLUGNQ-ULBORTECSA-N. The full InChI is InChI=1S/C9H15F2N/c1-4-9(11)6(2)8(5-10)7(3)12/h9,12H,4-5H2,1-3H3/b8-6+,12-7+.
What are the key properties of (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine?
(Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine has a molecular weight of 175.22 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-fluoro-3-(fluoromethyl)-4-methylhept-3-en-2-imine is sourced from PubChem (CID 170257046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).