(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid

C7H8F2O2 — CID 129024324

IUPAC(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=C(F)F)C1
InChIInChI=1S/C7H8F2O2/c8-6(9)4-1-2-5(3-4)7(10)11/h5H,1-3H2,(H,10,11)/t5-/m1/s1
InChIKeyOMCNKTMTGYYGCV-RXMQYKEDSA-N
MW162.13 g/mol
LogP2.02
Rot. Bonds1

About (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid

(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid (PubChem CID 129024324) has the molecular formula C7H8F2O2 and a molecular weight of 162.13 g/mol. Its IUPAC name is (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid
PubChem CID129024324
Molecular FormulaC7H8F2O2
Molecular Weight162.13 g/mol
Exact Mass162.05
IUPAC Name(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=C(F)F)C1
InChIInChI=1S/C7H8F2O2/c8-6(9)4-1-2-5(3-4)7(10)11/h5H,1-3H2,(H,10,11)/t5-/m1/s1
InChIKeyOMCNKTMTGYYGCV-RXMQYKEDSA-N
XLogP2.02
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.13
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid?
The IUPAC name of (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid (CID 129024324) is (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid.
What is the SMILES notation for (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid?
The canonical SMILES for (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid is O=C(O)[C@@H]1CCC(=C(F)F)C1.
What is the InChIKey of (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid?
The InChIKey is OMCNKTMTGYYGCV-RXMQYKEDSA-N. The full InChI is InChI=1S/C7H8F2O2/c8-6(9)4-1-2-5(3-4)7(10)11/h5H,1-3H2,(H,10,11)/t5-/m1/s1.
What are the key properties of (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid?
(1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid has a molecular weight of 162.13 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-(difluoromethylidene)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 129024324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).