2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid

C7H9F3O2 — CID 57248340

IUPAC2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(F)C(C(=O)O)C1(C)C(F)F
InChIInChI=1S/C7H9F3O2/c1-6(5(8)9)3(4(11)12)7(6,2)10/h3,5H,1-2H3,(H,11,12)
InChIKeyWTMNVZWRFVYLDA-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.70
Rot. Bonds2

About 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid

2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid (PubChem CID 57248340) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
PubChem CID57248340
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid
SMILESCC1(F)C(C(=O)O)C1(C)C(F)F
InChIInChI=1S/C7H9F3O2/c1-6(5(8)9)3(4(11)12)7(6,2)10/h3,5H,1-2H3,(H,11,12)
InChIKeyWTMNVZWRFVYLDA-UHFFFAOYSA-N
XLogP1.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethyl)-2,3-dimethyl-3-(trifluoromethyl)cyclopropane-1-carboxylic acid
CID 57273310
2,3-dimethyl-2,3-bis(trifluoromethyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 88725151
2,2-bis(2-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 57296782
2,2-difluorospiro[2.2]pentane-1-carboxylic acid
CID 136575763
2-bromo-3,3-dimethyl-2-(1,1,2,2,2-pentafluoroethyl)cyclopropane-1-carboxylic acid
CID 57041457
2,2,3-trimethyl-3-(2,2,2-trifluoroethyl)cyclopropane-1-carboxylic acid
CID 57304145
acetic acid;fluoroform
CID 87238268
2,2-dimethylspiro[2.4]heptane-1-carboxylic acid
CID 20531773
3-[(Z)-5,5-difluoro-3-oxopent-1-enyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 150890409
4-(difluoromethyl)-4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 156631330
3,3-difluoro-1-methylcyclobutane-1-carboxylic acid
CID 23446853
2,2-bis(1-chloroethenyl)-3,3-dimethylcyclopropane-1-carboxylic acid
CID 20533205

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid?
The IUPAC name of 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid (CID 57248340) is 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid is CC1(F)C(C(=O)O)C1(C)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid?
The InChIKey is WTMNVZWRFVYLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c1-6(5(8)9)3(4(11)12)7(6,2)10/h3,5H,1-2H3,(H,11,12).
What are the key properties of 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid?
2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid has a molecular weight of 182.14 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-fluoro-2,3-dimethylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 57248340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).