2,2-difluoro-3-propylcyclopropane-1-carboxylic acid

C7H10F2O2 — CID 130676135

IUPAC2,2-difluoro-3-propylcyclopropane-1-carboxylic acid
SMILESCCCC1C(C(=O)O)C1(F)F
InChIInChI=1S/C7H10F2O2/c1-2-3-4-5(6(10)11)7(4,8)9/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyNOCHLSOBSQGILW-UHFFFAOYSA-N
MW164.15 g/mol
LogP1.75
Rot. Bonds3

About 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid

2,2-difluoro-3-propylcyclopropane-1-carboxylic acid (PubChem CID 130676135) has the molecular formula C7H10F2O2 and a molecular weight of 164.15 g/mol. Its IUPAC name is 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2-difluoro-3-propylcyclopropane-1-carboxylic acid
PubChem CID130676135
Molecular FormulaC7H10F2O2
Molecular Weight164.15 g/mol
Exact Mass164.06
IUPAC Name2,2-difluoro-3-propylcyclopropane-1-carboxylic acid
SMILESCCCC1C(C(=O)O)C1(F)F
InChIInChI=1S/C7H10F2O2/c1-2-3-4-5(6(10)11)7(4,8)9/h4-5H,2-3H2,1H3,(H,10,11)
InChIKeyNOCHLSOBSQGILW-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.15
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-3-(propoxymethyl)cyclopropane-1-carboxylic acid
CID 13457411
4,5-dipropylcyclohexane-1,2-dicarboxylic acid
CID 58183345
2,2-dimethyl-3-propoxycarbonylcyclopropane-1-carboxylic acid
CID 90905130
cis-(1S,3S)-3-[(1R)-1-carboxyethyl]-2,2-difluorocyclopropane-1-carboxylic acid
CID 59958792
trans-(1R,3S)-3-(carboxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 15559668
cis-(1S,3S)-3-(hydroxymethyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 67120920
2,6-dimethyl-4-propylcyclohexane-1-carboxylic acid
CID 175170094
2,4,6-tripropylcyclohexane-1-carboxylic acid
CID 135149042
ethyl (1S,3R,4S)-2,2-difluoro-3-propylbicyclo[2.1.0]pentane-1-carboxylate
CID 102002530
3-(3-acetyloxypropyl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 174743906
(3R)-3-propyloxirane-2-carboxylic acid
CID 54567542
(2R,3S,4S,6R)-2-amino-6-propylbicyclo[2.2.1]heptane-2,3-dicarboxylic acid
CID 52943726

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid (CID 130676135) is 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid is CCCC1C(C(=O)O)C1(F)F.
What is the InChIKey of 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid?
The InChIKey is NOCHLSOBSQGILW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O2/c1-2-3-4-5(6(10)11)7(4,8)9/h4-5H,2-3H2,1H3,(H,10,11).
What are the key properties of 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid?
2,2-difluoro-3-propylcyclopropane-1-carboxylic acid has a molecular weight of 164.15 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-propylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 130676135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).