1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid

C13H15F2NO2 — CID 116912073

IUPAC1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCN(C)C(c1ccc(F)cc1F)C1(C(=O)O)CC1
InChIInChI=1S/C13H15F2NO2/c1-16(2)11(13(5-6-13)12(17)18)9-4-3-8(14)7-10(9)15/h3-4,7,11H,5-6H2,1-2H3,(H,17,18)
InChIKeyBFHAJTRCCGXKST-UHFFFAOYSA-N
MW255.26 g/mol
LogP2.43
Rot. Bonds4

About 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid

1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid (PubChem CID 116912073) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
PubChem CID116912073
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
SMILESCN(C)C(c1ccc(F)cc1F)C1(C(=O)O)CC1
InChIInChI=1S/C13H15F2NO2/c1-16(2)11(13(5-6-13)12(17)18)9-4-3-8(14)7-10(9)15/h3-4,7,11H,5-6H2,1-2H3,(H,17,18)
InChIKeyBFHAJTRCCGXKST-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2,5-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid
CID 116912071
3-[(2,4-difluorophenyl)-(dimethylamino)methyl]oxetane-3-carbonitrile
CID 116912828
1-(2,4-difluorophenyl)-1-(dimethylamino)propan-2-one
CID 90178952
(2,4-difluorophenyl)-(dimethylamino)methanol
CID 116909567
1-(2,4-difluorophenyl)-1-(dimethylamino)-3,3-dimethylbutan-2-one
CID 58533232
methyl 1-[dimethylamino-(3-fluorophenyl)methyl]cyclopropane-1-carboxylate
CID 116912777
1-[amino-(5-fluoro-2-methoxyphenyl)methyl]cyclopropane-1-carboxylic acid
CID 116943063
3-(2,4-difluorophenyl)-2-methylbutanoic acid
CID 79729834
1-[(2,4-difluorophenyl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79066741
1-(2,4-difluorophenyl)-N,N,2-trimethylpropan-1-amine
CID 89477372
(1S)-1-(2,4-difluorophenyl)-1-hydroxypropan-2-one
CID 101087572
(2R)-2-(2,4-difluorophenyl)-2-(methylamino)acetic acid
CID 93280033

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid (CID 116912073) is 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid is CN(C)C(c1ccc(F)cc1F)C1(C(=O)O)CC1.
What is the InChIKey of 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is BFHAJTRCCGXKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-16(2)11(13(5-6-13)12(17)18)9-4-3-8(14)7-10(9)15/h3-4,7,11H,5-6H2,1-2H3,(H,17,18).
What are the key properties of 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid?
1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 255.26 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)-(dimethylamino)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 116912073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).