1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid

C15H20FNO2 — CID 55055701

IUPAC1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-17(13-7-5-6-12(16)10-13)11-15(14(18)19)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,19)
InChIKeyFVXWGTHHMNKBTE-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.30
Rot. Bonds4

About 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid

1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 55055701) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid
PubChem CID55055701
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CCCCC1)c1cccc(F)c1
InChIInChI=1S/C15H20FNO2/c1-17(13-7-5-6-12(16)10-13)11-15(14(18)19)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,19)
InChIKeyFVXWGTHHMNKBTE-UHFFFAOYSA-N
XLogP3.30
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid (CID 55055701) is 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid is CN(CC1(C(=O)O)CCCCC1)c1cccc(F)c1.
What is the InChIKey of 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is FVXWGTHHMNKBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-17(13-7-5-6-12(16)10-13)11-15(14(18)19)8-3-2-4-9-15/h5-7,10H,2-4,8-9,11H2,1H3,(H,18,19).
What are the key properties of 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid?
1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluoro-N-methylanilino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 55055701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).