3-fluoro-2,5-dimethylhept-2-ene

C9H17F — CID 88876117

IUPAC3-fluoro-2,5-dimethylhept-2-ene
SMILESCCC(C)CC(F)=C(C)C
InChIInChI=1S/C9H17F/c1-5-8(4)6-9(10)7(2)3/h8H,5-6H2,1-4H3
InChIKeyQNIRDJHDAIMRQQ-UHFFFAOYSA-N
MW144.23 g/mol
LogP3.69
Rot. Bonds3

About 3-fluoro-2,5-dimethylhept-2-ene

3-fluoro-2,5-dimethylhept-2-ene (PubChem CID 88876117) has the molecular formula C9H17F and a molecular weight of 144.23 g/mol. Its IUPAC name is 3-fluoro-2,5-dimethylhept-2-ene.

Molecular Properties

Compound Name3-fluoro-2,5-dimethylhept-2-ene
PubChem CID88876117
Molecular FormulaC9H17F
Molecular Weight144.23 g/mol
Exact Mass144.13
IUPAC Name3-fluoro-2,5-dimethylhept-2-ene
SMILESCCC(C)CC(F)=C(C)C
InChIInChI=1S/C9H17F/c1-5-8(4)6-9(10)7(2)3/h8H,5-6H2,1-4H3
InChIKeyQNIRDJHDAIMRQQ-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.23
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2,5-dimethylhept-2-ene?
The IUPAC name of 3-fluoro-2,5-dimethylhept-2-ene (CID 88876117) is 3-fluoro-2,5-dimethylhept-2-ene.
What is the SMILES notation for 3-fluoro-2,5-dimethylhept-2-ene?
The canonical SMILES for 3-fluoro-2,5-dimethylhept-2-ene is CCC(C)CC(F)=C(C)C.
What is the InChIKey of 3-fluoro-2,5-dimethylhept-2-ene?
The InChIKey is QNIRDJHDAIMRQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F/c1-5-8(4)6-9(10)7(2)3/h8H,5-6H2,1-4H3.
What are the key properties of 3-fluoro-2,5-dimethylhept-2-ene?
3-fluoro-2,5-dimethylhept-2-ene has a molecular weight of 144.23 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2,5-dimethylhept-2-ene is sourced from PubChem (CID 88876117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).