1-(trifluoromethyl)cyclopentane-1-carboxylic acid

C7H9F3O2 — CID 15507525

IUPAC1-(trifluoromethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)6(5(11)12)3-1-2-4-6/h1-4H2,(H,11,12)
InChIKeyDGQRYPPBAJNZFZ-UHFFFAOYSA-N
MW182.14 g/mol
LogP2.19
Rot. Bonds1

About 1-(trifluoromethyl)cyclopentane-1-carboxylic acid

1-(trifluoromethyl)cyclopentane-1-carboxylic acid (PubChem CID 15507525) has the molecular formula C7H9F3O2 and a molecular weight of 182.14 g/mol. Its IUPAC name is 1-(trifluoromethyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethyl)cyclopentane-1-carboxylic acid
PubChem CID15507525
Molecular FormulaC7H9F3O2
Molecular Weight182.14 g/mol
Exact Mass182.06
IUPAC Name1-(trifluoromethyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(C(F)(F)F)CCCC1
InChIInChI=1S/C7H9F3O2/c8-7(9,10)6(5(11)12)3-1-2-4-6/h1-4H2,(H,11,12)
InChIKeyDGQRYPPBAJNZFZ-UHFFFAOYSA-N
XLogP2.19
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(trifluoromethyl)cyclopentane-1-carboxylic acid (CID 15507525) is 1-(trifluoromethyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(trifluoromethyl)cyclopentane-1-carboxylic acid is O=C(O)C1(C(F)(F)F)CCCC1.
What is the InChIKey of 1-(trifluoromethyl)cyclopentane-1-carboxylic acid?
The InChIKey is DGQRYPPBAJNZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3O2/c8-7(9,10)6(5(11)12)3-1-2-4-6/h1-4H2,(H,11,12).
What are the key properties of 1-(trifluoromethyl)cyclopentane-1-carboxylic acid?
1-(trifluoromethyl)cyclopentane-1-carboxylic acid has a molecular weight of 182.14 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 15507525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).