3-(2-fluoroethyl)-2,5-dimethylhept-2-ene

C11H21F — CID 89247411

IUPAC3-(2-fluoroethyl)-2,5-dimethylhept-2-ene
SMILESCCC(C)CC(CCF)=C(C)C
InChIInChI=1S/C11H21F/c1-5-10(4)8-11(6-7-12)9(2)3/h10H,5-8H2,1-4H3
InChIKeyDBCSTQLUZOHQIY-UHFFFAOYSA-N
MW172.29 g/mol
LogP4.12
Rot. Bonds5

About 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene

3-(2-fluoroethyl)-2,5-dimethylhept-2-ene (PubChem CID 89247411) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene.

Molecular Properties

Compound Name3-(2-fluoroethyl)-2,5-dimethylhept-2-ene
PubChem CID89247411
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name3-(2-fluoroethyl)-2,5-dimethylhept-2-ene
SMILESCCC(C)CC(CCF)=C(C)C
InChIInChI=1S/C11H21F/c1-5-10(4)8-11(6-7-12)9(2)3/h10H,5-8H2,1-4H3
InChIKeyDBCSTQLUZOHQIY-UHFFFAOYSA-N
XLogP4.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-Trimethylcyclopentene
CID 136316
p-Menth-4(8)-ene
CID 517975
m-Menth-3(8)-ene
CID 518828
2,3,6-Trimethyl-2-heptene
CID 12714409
Citronellyl fluoride
CID 14669912
2,3,4-Trimethylhept-2-ene
CID 22996828
2-Methyl-3-propan-2-ylhept-2-ene
CID 58083987
1,2,4-Trimethylcyclopentene
CID 523224
2,5-Dimethyl-3-(2-methylpropyl)-2-hexene
CID 19035611
2,3,7-Trimethyl-2-octene
CID 557903
2-Fluoro-1-methyl-4-(prop-1-en-2-yl)cyclohex-1-ene
CID 86582993
2-Fluorogermacrene
CID 129847575

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene?
The IUPAC name of 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene (CID 89247411) is 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene.
What is the SMILES notation for 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene?
The canonical SMILES for 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene is CCC(C)CC(CCF)=C(C)C.
What is the InChIKey of 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene?
The InChIKey is DBCSTQLUZOHQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F/c1-5-10(4)8-11(6-7-12)9(2)3/h10H,5-8H2,1-4H3.
What are the key properties of 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene?
3-(2-fluoroethyl)-2,5-dimethylhept-2-ene has a molecular weight of 172.29 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-2,5-dimethylhept-2-ene is sourced from PubChem (CID 89247411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).