1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid

C15H19FO3 — CID 117419802

IUPAC1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
SMILESCOCc1ccc(F)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H19FO3/c1-19-10-11-5-6-13(16)12(9-11)15(14(17)18)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyAFUSCEHYMLHBNQ-UHFFFAOYSA-N
MW266.31 g/mol
LogP3.26
Rot. Bonds4

About 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid

1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid (PubChem CID 117419802) has the molecular formula C15H19FO3 and a molecular weight of 266.31 g/mol. Its IUPAC name is 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
PubChem CID117419802
Molecular FormulaC15H19FO3
Molecular Weight266.31 g/mol
Exact Mass266.13
IUPAC Name1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
SMILESCOCc1ccc(F)c(C2(C(=O)O)CCCCC2)c1
InChIInChI=1S/C15H19FO3/c1-19-10-11-5-6-13(16)12(9-11)15(14(17)18)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18)
InChIKeyAFUSCEHYMLHBNQ-UHFFFAOYSA-N
XLogP3.26
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117383760
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555
1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117348913
1-[2,5-difluoro-4-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117428758
1-(3,4-difluoro-2-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 117428788
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
CID 117486987
1-(2-fluoro-4-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117419815
1-[2,6-difluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117393638
1-[5-chloro-2-fluoro-3-(methoxymethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117434426
1-(4-fluoro-2,3-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 117388602
1-[5-(2,2-dimethylpropyl)-2-methoxyphenyl]cyclohexane-1-carboxylic acid
CID 117489779
1-[2-methoxy-3-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117415224

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid (CID 117419802) is 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid is COCc1ccc(F)c(C2(C(=O)O)CCCCC2)c1.
What is the InChIKey of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid?
The InChIKey is AFUSCEHYMLHBNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO3/c1-19-10-11-5-6-13(16)12(9-11)15(14(17)18)7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3,(H,17,18).
What are the key properties of 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid?
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid has a molecular weight of 266.31 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 117419802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).