methyl 4-fluorocyclohexane-1-carboxylate

C8H13FO2 — CID 21281592

IUPACmethyl 4-fluorocyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(F)CC1
InChIInChI=1S/C8H13FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7H,2-5H2,1H3
InChIKeyUGCTYKCRGPACDN-UHFFFAOYSA-N
MW160.19 g/mol
LogP1.69
Rot. Bonds1

About methyl 4-fluorocyclohexane-1-carboxylate

methyl 4-fluorocyclohexane-1-carboxylate (PubChem CID 21281592) has the molecular formula C8H13FO2 and a molecular weight of 160.19 g/mol. Its IUPAC name is methyl 4-fluorocyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluorocyclohexane-1-carboxylate
PubChem CID21281592
Molecular FormulaC8H13FO2
Molecular Weight160.19 g/mol
Exact Mass160.09
IUPAC Namemethyl 4-fluorocyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(F)CC1
InChIInChI=1S/C8H13FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7H,2-5H2,1H3
InChIKeyUGCTYKCRGPACDN-UHFFFAOYSA-N
XLogP1.69
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

trans-methyl (1S,3S)-3-fluorocyclopentane-1-carboxylate
CID 129418708
dimethyl cycloheptane-1,4-dicarboxylate
CID 139878536
cis-dimethyl (1R,3S)-cyclopentane-1,3-dicarboxylate
CID 642990
methyl cyclobutanecarboxylate;hydrate
CID 175300594
ethane;methyl cyclohexanecarboxylate
CID 90871014
methyl 4-oxamoylcyclohexane-1-carboxylate
CID 173390857
methyl 4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexane-1-carboxylate
CID 54244189
methyl 4-ethylcyclohexane-1-carboxylate;hydrochloride
CID 163685796
trimethyl (1R,2R,4R)-cyclohexane-1,2,4-tricarboxylate
CID 12616208
methyl (1R,3S,4R)-4-amino-3-fluorocyclohexane-1-carboxylate
CID 122679276
methyl 4-(cyclopropanecarbonylamino)cyclohexane-1-carboxylate
CID 115617179
methyl 4-(bromomethyl)cyclohexane-1-carboxylate
CID 19688454

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluorocyclohexane-1-carboxylate?
The IUPAC name of methyl 4-fluorocyclohexane-1-carboxylate (CID 21281592) is methyl 4-fluorocyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-fluorocyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-fluorocyclohexane-1-carboxylate is COC(=O)C1CCC(F)CC1.
What is the InChIKey of methyl 4-fluorocyclohexane-1-carboxylate?
The InChIKey is UGCTYKCRGPACDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13FO2/c1-11-8(10)6-2-4-7(9)5-3-6/h6-7H,2-5H2,1H3.
What are the key properties of methyl 4-fluorocyclohexane-1-carboxylate?
methyl 4-fluorocyclohexane-1-carboxylate has a molecular weight of 160.19 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluorocyclohexane-1-carboxylate is sourced from PubChem (CID 21281592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).