7-chloro-1-fluoro-3-methylcyclooctene

C9H14ClF — CID 67069068

IUPAC7-chloro-1-fluoro-3-methylcyclooctene
SMILESCC1C=C(F)CC(Cl)CCC1
InChIInChI=1S/C9H14ClF/c1-7-3-2-4-8(10)6-9(11)5-7/h5,7-8H,2-4,6H2,1H3
InChIKeyLYYAPDNCWJQEJE-UHFFFAOYSA-N
MW176.66 g/mol
LogP3.66
Rot. Bonds

About 7-chloro-1-fluoro-3-methylcyclooctene

7-chloro-1-fluoro-3-methylcyclooctene (PubChem CID 67069068) has the molecular formula C9H14ClF and a molecular weight of 176.66 g/mol. Its IUPAC name is 7-chloro-1-fluoro-3-methylcyclooctene.

Molecular Properties

Compound Name7-chloro-1-fluoro-3-methylcyclooctene
PubChem CID67069068
Molecular FormulaC9H14ClF
Molecular Weight176.66 g/mol
Exact Mass176.08
IUPAC Name7-chloro-1-fluoro-3-methylcyclooctene
SMILESCC1C=C(F)CC(Cl)CCC1
InChIInChI=1S/C9H14ClF/c1-7-3-2-4-8(10)6-9(11)5-7/h5,7-8H,2-4,6H2,1H3
InChIKeyLYYAPDNCWJQEJE-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.66
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3S,6S)-3-chloro-1-fluoro-6-propan-2-ylcyclohexene
CID 59606730
6-Chloro-1-fluoro-3-methylcyclohexene
CID 89143029
8-Chloro-3-fluoro-7-methyloct-3-ene
CID 91523408
5-Chloro-6-fluoro-1,3-dimethylcyclohexene
CID 123801159
(6S)-6-chloro-1-fluoro-3-methylcyclohexene
CID 138749820
5-Chloro-4-fluoro-3-methyl-1-propan-2-ylcyclohexene
CID 146207770
1-(Chloromethyl)-5-ethyl-3-fluorocyclohexene
CID 156184764
6-Chloro-5-fluoro-1,3,4-trimethylcyclohexene
CID 166669048
(7R)-6-chloro-1-fluoro-2-methylbicyclo[5.1.0]oct-2-ene
CID 169627089
(1Z,5Z)-7-(chloromethyl)-2-fluorobicyclo[4.3.3]dodeca-1,5-diene
CID 174112004
(E)-12-chloro-6-propyldodec-4-ene
CID 176426741
(E,3R,7R)-1-chloro-3,7,11-trimethyldodec-4-ene
CID 13231274

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1-fluoro-3-methylcyclooctene?
The IUPAC name of 7-chloro-1-fluoro-3-methylcyclooctene (CID 67069068) is 7-chloro-1-fluoro-3-methylcyclooctene.
What is the SMILES notation for 7-chloro-1-fluoro-3-methylcyclooctene?
The canonical SMILES for 7-chloro-1-fluoro-3-methylcyclooctene is CC1C=C(F)CC(Cl)CCC1.
What is the InChIKey of 7-chloro-1-fluoro-3-methylcyclooctene?
The InChIKey is LYYAPDNCWJQEJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF/c1-7-3-2-4-8(10)6-9(11)5-7/h5,7-8H,2-4,6H2,1H3.
What are the key properties of 7-chloro-1-fluoro-3-methylcyclooctene?
7-chloro-1-fluoro-3-methylcyclooctene has a molecular weight of 176.66 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1-fluoro-3-methylcyclooctene is sourced from PubChem (CID 67069068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).