1-(4-fluoroanilino)cyclopropane-1-carboxylic acid

C10H10FNO2 — CID 103439482

IUPAC1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccc(F)cc2)CC1
InChIInChI=1S/C10H10FNO2/c11-7-1-3-8(4-2-7)12-10(5-6-10)9(13)14/h1-4,12H,5-6H2,(H,13,14)
InChIKeyNLMOHBDFEMAEFP-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid

1-(4-fluoroanilino)cyclopropane-1-carboxylic acid (PubChem CID 103439482) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
PubChem CID103439482
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name1-(4-fluoroanilino)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccc(F)cc2)CC1
InChIInChI=1S/C10H10FNO2/c11-7-1-3-8(4-2-7)12-10(5-6-10)9(13)14/h1-4,12H,5-6H2,(H,13,14)
InChIKeyNLMOHBDFEMAEFP-UHFFFAOYSA-N
XLogP1.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid (CID 103439482) is 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid is O=C(O)C1(Nc2ccc(F)cc2)CC1.
What is the InChIKey of 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid?
The InChIKey is NLMOHBDFEMAEFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-7-1-3-8(4-2-7)12-10(5-6-10)9(13)14/h1-4,12H,5-6H2,(H,13,14).
What are the key properties of 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid?
1-(4-fluoroanilino)cyclopropane-1-carboxylic acid has a molecular weight of 195.19 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 103439482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).