1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene

C12H14ClF — CID 89029215

IUPAC1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene
SMILESFC1CC=CC=C1C1=C(CCl)CCC1
InChIInChI=1S/C12H14ClF/c13-8-9-4-3-6-10(9)11-5-1-2-7-12(11)14/h1-2,5,12H,3-4,6-8H2
InChIKeyYVZVUPOFXMVKEW-UHFFFAOYSA-N
MW212.69 g/mol
LogP3.93
Rot. Bonds2

About 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene

1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene (PubChem CID 89029215) has the molecular formula C12H14ClF and a molecular weight of 212.69 g/mol. Its IUPAC name is 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene.

Molecular Properties

Compound Name1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene
PubChem CID89029215
Molecular FormulaC12H14ClF
Molecular Weight212.69 g/mol
Exact Mass212.08
IUPAC Name1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene
SMILESFC1CC=CC=C1C1=C(CCl)CCC1
InChIInChI=1S/C12H14ClF/c13-8-9-4-3-6-10(9)11-5-1-2-7-12(11)14/h1-2,5,12H,3-4,6-8H2
InChIKeyYVZVUPOFXMVKEW-UHFFFAOYSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.69
LogP ≤ 53.93
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

1-[(Z)-1,2-dichloroethenyl]cyclohexene
CID 135058109
(1Z,8Z)-11-chloro-4,13-difluorotricyclo[10.4.0.03,8]hexadeca-1,3,6,8,12,14-hexaene
CID 20232222
3-[Chloro(fluoro)methylidene]-1-methyl-2-prop-2-enylcyclopentene
CID 54416029
5-Chloro-6-fluoro-1,4-dimethylcyclohexa-1,3-diene
CID 68010480
5-(Chloromethylidene)-3-fluoro-1-methyl-2-prop-2-enylcyclopentene
CID 70519763
5-Chloro-2-fluoro-1-methylcyclohexa-1,3-diene
CID 89311761
(2Z,4Z)-1-chloro-5-(1-fluoropropyl)nona-2,4-diene
CID 126638990
(4S)-1-(chloromethyl)-4-fluorocyclohexene
CID 132196573
6-Chloro-2-fluoro-1,4-dimethylcyclohexa-1,3-diene
CID 138511413
{2-[1-(Chloromethyl)vinyl]-n-allyl}cyclopentadienylpalladium
CID 129665440
(3E)-13-chloro-4-fluorotrideca-1,3-diene
CID 10922416
1-(1-Chloroethyl)-5,5,6-trifluorocyclohexa-1,3-diene
CID 149849145

Frequently Asked Questions

What is the IUPAC name of 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene?
The IUPAC name of 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene (CID 89029215) is 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene.
What is the SMILES notation for 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene?
The canonical SMILES for 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene is FC1CC=CC=C1C1=C(CCl)CCC1.
What is the InChIKey of 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene?
The InChIKey is YVZVUPOFXMVKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF/c13-8-9-4-3-6-10(9)11-5-1-2-7-12(11)14/h1-2,5,12H,3-4,6-8H2.
What are the key properties of 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene?
1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene has a molecular weight of 212.69 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(chloromethyl)cyclopenten-1-yl]-6-fluorocyclohexa-1,3-diene is sourced from PubChem (CID 89029215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).