1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid

C14H18FNO2 — CID 55055558

IUPAC1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CCCC1)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-16(12-7-3-2-6-11(12)15)10-14(13(17)18)8-4-5-9-14/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyYHGOUOPBHRTCIR-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.91
Rot. Bonds4

About 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid

1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 55055558) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid
PubChem CID55055558
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid
SMILESCN(CC1(C(=O)O)CCCC1)c1ccccc1F
InChIInChI=1S/C14H18FNO2/c1-16(12-7-3-2-6-11(12)15)10-14(13(17)18)8-4-5-9-14/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,18)
InChIKeyYHGOUOPBHRTCIR-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid (CID 55055558) is 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid is CN(CC1(C(=O)O)CCCC1)c1ccccc1F.
What is the InChIKey of 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is YHGOUOPBHRTCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16(12-7-3-2-6-11(12)15)10-14(13(17)18)8-4-5-9-14/h2-3,6-7H,4-5,8-10H2,1H3,(H,17,18).
What are the key properties of 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid?
1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluoro-N-methylanilino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 55055558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).