methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate

C14H17FO2 — CID 82243393

IUPACmethyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1c1ccccc1F
InChIInChI=1S/C14H17FO2/c1-17-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)15/h4-5,7,9-10,12H,2-3,6,8H2,1H3
InChIKeyMTHFTJIKBRVBCD-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.27
Rot. Bonds2

About methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate

methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate (PubChem CID 82243393) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
PubChem CID82243393
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Namemethyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1c1ccccc1F
InChIInChI=1S/C14H17FO2/c1-17-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)15/h4-5,7,9-10,12H,2-3,6,8H2,1H3
InChIKeyMTHFTJIKBRVBCD-UHFFFAOYSA-N
XLogP3.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,3-dichlorophenyl)cyclohexane-1-carboxylate
CID 82250036
methyl 1-[2-(2-fluorophenyl)cyclopropanecarbonyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 56807396
1-fluoro-2-[2-(2-fluorophenyl)cyclohexyl]benzene
CID 91409982
methyl (2S,3R)-3-(2-fluorophenyl)pyrrolidine-2-carboxylate
CID 7200386
ethane;methyl 2-[6-(2-methoxycarbonylcyclohexyl)pyren-1-yl]cyclohexane-1-carboxylate
CID 144531065
methyl 2-(2-fluorophenyl)-1-oxaspiro[5.5]undecane-3-carboxylate
CID 123806945
cis-methyl (1R,2S)-2-[[2-(2-fluorophenyl)acetyl]amino]cyclohexane-1-carboxylate
CID 97028755
2-(2-fluorophenyl)cyclopentan-1-ol
CID 62596714
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979
methyl 2-[(2-fluorophenyl)sulfamoyl]cyclopentane-1-carboxylate
CID 103342191
trans-methyl (1R,5R)-2-(2-bromophenyl)-5-fluorocyclohexane-1-carboxylate
CID 11493390
2-[2-(2-fluorophenyl)cycloheptyl]acetic acid
CID 82244846

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate (CID 82243393) is methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate is COC(=O)C1CCCCC1c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate?
The InChIKey is MTHFTJIKBRVBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-17-14(16)12-8-3-2-6-10(12)11-7-4-5-9-13(11)15/h4-5,7,9-10,12H,2-3,6,8H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate?
methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate has a molecular weight of 236.29 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 82243393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).