(Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene

C9H16F2 — CID 170070049

IUPAC(Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene
SMILESC/C=C\CC(F)(CF)C(C)C
InChIInChI=1S/C9H16F2/c1-4-5-6-9(11,7-10)8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4-
InChIKeyMHDITPYWUVBQTO-PLNGDYQASA-N
MW162.22 g/mol
LogP3.29
Rot. Bonds4

About (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene

(Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene (PubChem CID 170070049) has the molecular formula C9H16F2 and a molecular weight of 162.22 g/mol. Its IUPAC name is (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene.

Molecular Properties

Compound Name(Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene
PubChem CID170070049
Molecular FormulaC9H16F2
Molecular Weight162.22 g/mol
Exact Mass162.12
IUPAC Name(Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene
SMILESC/C=C\CC(F)(CF)C(C)C
InChIInChI=1S/C9H16F2/c1-4-5-6-9(11,7-10)8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4-
InChIKeyMHDITPYWUVBQTO-PLNGDYQASA-N
XLogP3.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene?
The IUPAC name of (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene (CID 170070049) is (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene.
What is the SMILES notation for (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene?
The canonical SMILES for (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene is C/C=C\CC(F)(CF)C(C)C.
What is the InChIKey of (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene?
The InChIKey is MHDITPYWUVBQTO-PLNGDYQASA-N. The full InChI is InChI=1S/C9H16F2/c1-4-5-6-9(11,7-10)8(2)3/h4-5,8H,6-7H2,1-3H3/b5-4-.
What are the key properties of (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene?
(Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene has a molecular weight of 162.22 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-fluoro-5-(fluoromethyl)-6-methylhept-2-ene is sourced from PubChem (CID 170070049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).