1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid

C8H12F2O2 — CID 68932475

IUPAC1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCC(F)(F)C1
InChIInChI=1S/C8H12F2O2/c1-2-7(6(11)12)3-4-8(9,10)5-7/h2-5H2,1H3,(H,11,12)
InChIKeyDXLXHVMXGVUHDL-UHFFFAOYSA-N
MW178.18 g/mol
LogP2.29
Rot. Bonds2

About 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid

1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid (PubChem CID 68932475) has the molecular formula C8H12F2O2 and a molecular weight of 178.18 g/mol. Its IUPAC name is 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid
PubChem CID68932475
Molecular FormulaC8H12F2O2
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid
SMILESCCC1(C(=O)O)CCC(F)(F)C1
InChIInChI=1S/C8H12F2O2/c1-2-7(6(11)12)3-4-8(9,10)5-7/h2-5H2,1H3,(H,11,12)
InChIKeyDXLXHVMXGVUHDL-UHFFFAOYSA-N
XLogP2.29
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5,6,6,7,7,7-heptafluoro-4,4-bis(trifluoromethyl)heptanoic Acid
CID 2774849
1-Methylcyclopentane-1-carboxylic acid
CID 138436
1-Tert-butylcyclopentane-1-carboxylic acid
CID 12418155
2-(1-Methylcyclopentyl)acetic acid
CID 20073018
3,3-Difluorocyclopentane-1-carboxylic acid
CID 53403837
1-(Trifluoromethyl)cyclopentane-1-carboxylic acid
CID 15507525
1-Ethylcyclopentane-1-carboxylic acid
CID 22670946
2-Cyclopentyl-2,2-difluoroacetic acid
CID 39058298
4,4-Difluoro-1-methylcyclohexanecarboxylic acid
CID 53445124
2-(2,2-Difluorocyclopentyl)acetic acid
CID 68006810
1,2,2-Trifluorocyclopentane-1-carboxylic acid
CID 68937116
2,2-Difluorocyclopentane-1-carboxylic acid
CID 83479473

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid?
The IUPAC name of 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid (CID 68932475) is 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid?
The canonical SMILES for 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid is CCC1(C(=O)O)CCC(F)(F)C1.
What is the InChIKey of 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid?
The InChIKey is DXLXHVMXGVUHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O2/c1-2-7(6(11)12)3-4-8(9,10)5-7/h2-5H2,1H3,(H,11,12).
What are the key properties of 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid?
1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid has a molecular weight of 178.18 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluorocyclopentane-1-carboxylic acid is sourced from PubChem (CID 68932475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).