7-chloro-1-fluorocycloheptene

C7H10ClF — CID 132604534

IUPAC7-chloro-1-fluorocycloheptene
SMILESFC1=CCCCCC1Cl
InChIInChI=1S/C7H10ClF/c8-6-4-2-1-3-5-7(6)9/h5-6H,1-4H2
InChIKeyMXIHAFHJMDVWMH-UHFFFAOYSA-N
MW148.61 g/mol
LogP3.02
Rot. Bonds

About 7-chloro-1-fluorocycloheptene

7-chloro-1-fluorocycloheptene (PubChem CID 132604534) has the molecular formula C7H10ClF and a molecular weight of 148.61 g/mol. Its IUPAC name is 7-chloro-1-fluorocycloheptene.

Molecular Properties

Compound Name7-chloro-1-fluorocycloheptene
PubChem CID132604534
Molecular FormulaC7H10ClF
Molecular Weight148.61 g/mol
Exact Mass148.05
IUPAC Name7-chloro-1-fluorocycloheptene
SMILESFC1=CCCCCC1Cl
InChIInChI=1S/C7H10ClF/c8-6-4-2-1-3-5-7(6)9/h5-6H,1-4H2
InChIKeyMXIHAFHJMDVWMH-UHFFFAOYSA-N
XLogP3.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.61
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-fluorocycloheptene?
The IUPAC name of 7-chloro-1-fluorocycloheptene (CID 132604534) is 7-chloro-1-fluorocycloheptene.
What is the SMILES notation for 7-chloro-1-fluorocycloheptene?
The canonical SMILES for 7-chloro-1-fluorocycloheptene is FC1=CCCCCC1Cl.
What is the InChIKey of 7-chloro-1-fluorocycloheptene?
The InChIKey is MXIHAFHJMDVWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF/c8-6-4-2-1-3-5-7(6)9/h5-6H,1-4H2.
What are the key properties of 7-chloro-1-fluorocycloheptene?
7-chloro-1-fluorocycloheptene has a molecular weight of 148.61 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-fluorocycloheptene is sourced from PubChem (CID 132604534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).