2-[3-(difluoromethoxy)cyclopentyl]acetic acid

C8H12F2O3 — CID 84720257

IUPAC2-[3-(difluoromethoxy)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(OC(F)F)C1
InChIInChI=1S/C8H12F2O3/c9-8(10)13-6-2-1-5(3-6)4-7(11)12/h5-6,8H,1-4H2,(H,11,12)
InChIKeyNTMHXKYBPRMTNP-UHFFFAOYSA-N
MW194.18 g/mol
LogP1.87
Rot. Bonds4

About 2-[3-(difluoromethoxy)cyclopentyl]acetic acid

2-[3-(difluoromethoxy)cyclopentyl]acetic acid (PubChem CID 84720257) has the molecular formula C8H12F2O3 and a molecular weight of 194.18 g/mol. Its IUPAC name is 2-[3-(difluoromethoxy)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[3-(difluoromethoxy)cyclopentyl]acetic acid
PubChem CID84720257
Molecular FormulaC8H12F2O3
Molecular Weight194.18 g/mol
Exact Mass194.08
IUPAC Name2-[3-(difluoromethoxy)cyclopentyl]acetic acid
SMILESO=C(O)CC1CCC(OC(F)F)C1
InChIInChI=1S/C8H12F2O3/c9-8(10)13-6-2-1-5(3-6)4-7(11)12/h5-6,8H,1-4H2,(H,11,12)
InChIKeyNTMHXKYBPRMTNP-UHFFFAOYSA-N
XLogP1.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.18
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethoxy)cyclopentyl]acetic acid?
The IUPAC name of 2-[3-(difluoromethoxy)cyclopentyl]acetic acid (CID 84720257) is 2-[3-(difluoromethoxy)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[3-(difluoromethoxy)cyclopentyl]acetic acid?
The canonical SMILES for 2-[3-(difluoromethoxy)cyclopentyl]acetic acid is O=C(O)CC1CCC(OC(F)F)C1.
What is the InChIKey of 2-[3-(difluoromethoxy)cyclopentyl]acetic acid?
The InChIKey is NTMHXKYBPRMTNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2O3/c9-8(10)13-6-2-1-5(3-6)4-7(11)12/h5-6,8H,1-4H2,(H,11,12).
What are the key properties of 2-[3-(difluoromethoxy)cyclopentyl]acetic acid?
2-[3-(difluoromethoxy)cyclopentyl]acetic acid has a molecular weight of 194.18 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethoxy)cyclopentyl]acetic acid is sourced from PubChem (CID 84720257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).