5-fluoro-1,3,4-trimethylcycloheptene

C10H17F — CID 146579921

IUPAC5-fluoro-1,3,4-trimethylcycloheptene
SMILESCC1=CC(C)C(C)C(F)CC1
InChIInChI=1S/C10H17F/c1-7-4-5-10(11)9(3)8(2)6-7/h6,8-10H,4-5H2,1-3H3
InChIKeyBADIRPNMEWEFQH-UHFFFAOYSA-N
MW156.24 g/mol
LogP3.34
Rot. Bonds

About 5-fluoro-1,3,4-trimethylcycloheptene

5-fluoro-1,3,4-trimethylcycloheptene (PubChem CID 146579921) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 5-fluoro-1,3,4-trimethylcycloheptene.

Molecular Properties

Compound Name5-fluoro-1,3,4-trimethylcycloheptene
PubChem CID146579921
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name5-fluoro-1,3,4-trimethylcycloheptene
SMILESCC1=CC(C)C(C)C(F)CC1
InChIInChI=1S/C10H17F/c1-7-4-5-10(11)9(3)8(2)6-7/h6,8-10H,4-5H2,1-3H3
InChIKeyBADIRPNMEWEFQH-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.34
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 5-fluoro-1,3,4-trimethylcycloheptene?
The IUPAC name of 5-fluoro-1,3,4-trimethylcycloheptene (CID 146579921) is 5-fluoro-1,3,4-trimethylcycloheptene.
What is the SMILES notation for 5-fluoro-1,3,4-trimethylcycloheptene?
The canonical SMILES for 5-fluoro-1,3,4-trimethylcycloheptene is CC1=CC(C)C(C)C(F)CC1.
What is the InChIKey of 5-fluoro-1,3,4-trimethylcycloheptene?
The InChIKey is BADIRPNMEWEFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F/c1-7-4-5-10(11)9(3)8(2)6-7/h6,8-10H,4-5H2,1-3H3.
What are the key properties of 5-fluoro-1,3,4-trimethylcycloheptene?
5-fluoro-1,3,4-trimethylcycloheptene has a molecular weight of 156.24 g/mol, XLogP of 3.34, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3,4-trimethylcycloheptene is sourced from PubChem (CID 146579921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).