1-chloro-5-ethyl-3-fluorocyclohexene

C8H12ClF — CID 89017361

IUPAC1-chloro-5-ethyl-3-fluorocyclohexene
SMILESCCC1CC(Cl)=CC(F)C1
InChIInChI=1S/C8H12ClF/c1-2-6-3-7(9)5-8(10)4-6/h5-6,8H,2-4H2,1H3
InChIKeyUBHJDPNLMXBXTN-UHFFFAOYSA-N
MW162.63 g/mol
LogP3.27
Rot. Bonds1

About 1-chloro-5-ethyl-3-fluorocyclohexene

1-chloro-5-ethyl-3-fluorocyclohexene (PubChem CID 89017361) has the molecular formula C8H12ClF and a molecular weight of 162.63 g/mol. Its IUPAC name is 1-chloro-5-ethyl-3-fluorocyclohexene.

Molecular Properties

Compound Name1-chloro-5-ethyl-3-fluorocyclohexene
PubChem CID89017361
Molecular FormulaC8H12ClF
Molecular Weight162.63 g/mol
Exact Mass162.06
IUPAC Name1-chloro-5-ethyl-3-fluorocyclohexene
SMILESCCC1CC(Cl)=CC(F)C1
InChIInChI=1S/C8H12ClF/c1-2-6-3-7(9)5-8(10)4-6/h5-6,8H,2-4H2,1H3
InChIKeyUBHJDPNLMXBXTN-UHFFFAOYSA-N
XLogP3.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.63
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

Cyclohexene, 1-chloro-4-(1-chlorophenyl)-
CID 26101
1-Chloro-6-methylcyclohexene
CID 565192
Cyclohexene, 1-chloro-5-(1-chloroethenyl)-
CID 26102
1-(Chloromethyl)-4-prop-1-en-2-ylcyclohexene
CID 11105804
4-Tert-butyl-1-chlorocyclohexene
CID 11355769
1-Chloro-4,4-dimethylcyclohex-1-ene
CID 12668507
5-Dimethylchlorocyclohexene
CID 12668510
1,3-Dichloro metaxylene
CID 18407185
(E)-6-chloro-3,4,6-trimethylhept-2-ene
CID 170848958
4-Chloro-3-methyl-4,5,5-trifluorocyclohexene
CID 19593685
1-Chloro-4-trifluoromethylcyclohex-1-ene
CID 22158883
(3S,6S)-3-chloro-1-fluoro-6-propan-2-ylcyclohexene
CID 59606730

Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-ethyl-3-fluorocyclohexene?
The IUPAC name of 1-chloro-5-ethyl-3-fluorocyclohexene (CID 89017361) is 1-chloro-5-ethyl-3-fluorocyclohexene.
What is the SMILES notation for 1-chloro-5-ethyl-3-fluorocyclohexene?
The canonical SMILES for 1-chloro-5-ethyl-3-fluorocyclohexene is CCC1CC(Cl)=CC(F)C1.
What is the InChIKey of 1-chloro-5-ethyl-3-fluorocyclohexene?
The InChIKey is UBHJDPNLMXBXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClF/c1-2-6-3-7(9)5-8(10)4-6/h5-6,8H,2-4H2,1H3.
What are the key properties of 1-chloro-5-ethyl-3-fluorocyclohexene?
1-chloro-5-ethyl-3-fluorocyclohexene has a molecular weight of 162.63 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-ethyl-3-fluorocyclohexene is sourced from PubChem (CID 89017361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).