methyl 4-fluorocyclohex-3-ene-1-carboxylate

C8H11FO2 — CID 14365666

IUPACmethyl 4-fluorocyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=C(F)CC1
InChIInChI=1S/C8H11FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h4,6H,2-3,5H2,1H3
InChIKeyQLWIZWXDAZVKRF-UHFFFAOYSA-N
MW158.17 g/mol
LogP1.81
Rot. Bonds1

About methyl 4-fluorocyclohex-3-ene-1-carboxylate

methyl 4-fluorocyclohex-3-ene-1-carboxylate (PubChem CID 14365666) has the molecular formula C8H11FO2 and a molecular weight of 158.17 g/mol. Its IUPAC name is methyl 4-fluorocyclohex-3-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluorocyclohex-3-ene-1-carboxylate
PubChem CID14365666
Molecular FormulaC8H11FO2
Molecular Weight158.17 g/mol
Exact Mass158.07
IUPAC Namemethyl 4-fluorocyclohex-3-ene-1-carboxylate
SMILESCOC(=O)C1CC=C(F)CC1
InChIInChI=1S/C8H11FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h4,6H,2-3,5H2,1H3
InChIKeyQLWIZWXDAZVKRF-UHFFFAOYSA-N
XLogP1.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.17
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (1R)-4-(trifluoromethylsulfonyloxy)cyclohex-3-ene-1-carboxylate
CID 98051604
methyl (1R)-4-(trimethylsilylmethyl)cyclohex-3-ene-1-carboxylate
CID 102330651
lithium;methane;4-methylcyclohex-3-ene-1-carboxylic acid;methyl 4-methylcyclohex-3-ene-1-carboxylate;hydroxide
CID 167654030
methyl 4-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate hexafluorophosphate
CID 10428772
methyl 4-pyridin-1-ium-1-ylcyclohex-3-ene-1-carboxylate bromide
CID 10108684
methyl 3-methylcyclopent-3-ene-1-carboxylate
CID 12732838
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl 4-[4-(4-methoxyphenyl)cyclohexen-1-yl]cyclohex-3-ene-1-carboxylate
CID 19986864
methyl 4-(6-chloro-3-pyridinyl)cyclohex-3-ene-1-carboxylate
CID 142612409
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
methyl 6-amino-2,3,4,5-tetrahydropyridine-3-carboxylate;hydrochloride
CID 45259453
methyl 4-oxocycloheptane-1-carboxylate
CID 11116477

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluorocyclohex-3-ene-1-carboxylate?
The IUPAC name of methyl 4-fluorocyclohex-3-ene-1-carboxylate (CID 14365666) is methyl 4-fluorocyclohex-3-ene-1-carboxylate.
What is the SMILES notation for methyl 4-fluorocyclohex-3-ene-1-carboxylate?
The canonical SMILES for methyl 4-fluorocyclohex-3-ene-1-carboxylate is COC(=O)C1CC=C(F)CC1.
What is the InChIKey of methyl 4-fluorocyclohex-3-ene-1-carboxylate?
The InChIKey is QLWIZWXDAZVKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h4,6H,2-3,5H2,1H3.
What are the key properties of methyl 4-fluorocyclohex-3-ene-1-carboxylate?
methyl 4-fluorocyclohex-3-ene-1-carboxylate has a molecular weight of 158.17 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluorocyclohex-3-ene-1-carboxylate is sourced from PubChem (CID 14365666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).