2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid

C9H7F5N2O2 — CID 71185034

IUPAC2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
SMILESO=C(O)CC1c2c(C(F)(F)F)n[nH]c2CC1(F)F
InChIInChI=1S/C9H7F5N2O2/c10-8(11)2-4-6(3(8)1-5(17)18)7(16-15-4)9(12,13)14/h3H,1-2H2,(H,15,16)(H,17,18)
InChIKeyMYNHAYKTQBKCKT-UHFFFAOYSA-N
MW270.16 g/mol
LogP2.18
Rot. Bonds2

About 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid

2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid (PubChem CID 71185034) has the molecular formula C9H7F5N2O2 and a molecular weight of 270.16 g/mol. Its IUPAC name is 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
PubChem CID71185034
Molecular FormulaC9H7F5N2O2
Molecular Weight270.16 g/mol
Exact Mass270.04
IUPAC Name2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid
SMILESO=C(O)CC1c2c(C(F)(F)F)n[nH]c2CC1(F)F
InChIInChI=1S/C9H7F5N2O2/c10-8(11)2-4-6(3(8)1-5(17)18)7(16-15-4)9(12,13)14/h3H,1-2H2,(H,15,16)(H,17,18)
InChIKeyMYNHAYKTQBKCKT-UHFFFAOYSA-N
XLogP2.18
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.16
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid?
The IUPAC name of 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid (CID 71185034) is 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid?
The canonical SMILES for 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid is O=C(O)CC1c2c(C(F)(F)F)n[nH]c2CC1(F)F.
What is the InChIKey of 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid?
The InChIKey is MYNHAYKTQBKCKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O2/c10-8(11)2-4-6(3(8)1-5(17)18)7(16-15-4)9(12,13)14/h3H,1-2H2,(H,15,16)(H,17,18).
What are the key properties of 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid?
2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid has a molecular weight of 270.16 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5,5-difluoro-3-(trifluoromethyl)-4,6-dihydro-1H-cyclopenta[c]pyrazol-4-yl]acetic acid is sourced from PubChem (CID 71185034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).