(5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole

C10H10F4N2 — CID 174090192

IUPAC(5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole
SMILESC=C[C@@H]1Cc2c(C(F)F)nn(C)c2C1(F)F
InChIInChI=1S/C10H10F4N2/c1-3-5-4-6-7(9(11)12)15-16(2)8(6)10(5,13)14/h3,5,9H,1,4H2,2H3/t5-/m1/s1
InChIKeyPVWOAKRLKNGLMA-RXMQYKEDSA-N
MW234.20 g/mol
LogP2.81
Rot. Bonds2

About (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole

(5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole (PubChem CID 174090192) has the molecular formula C10H10F4N2 and a molecular weight of 234.20 g/mol. Its IUPAC name is (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole.

Molecular Properties

Compound Name(5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole
PubChem CID174090192
Molecular FormulaC10H10F4N2
Molecular Weight234.20 g/mol
Exact Mass234.08
IUPAC Name(5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole
SMILESC=C[C@@H]1Cc2c(C(F)F)nn(C)c2C1(F)F
InChIInChI=1S/C10H10F4N2/c1-3-5-4-6-7(9(11)12)15-16(2)8(6)10(5,13)14/h3,5,9H,1,4H2,2H3/t5-/m1/s1
InChIKeyPVWOAKRLKNGLMA-RXMQYKEDSA-N
XLogP2.81
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.20
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole?
The IUPAC name of (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole (CID 174090192) is (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole.
What is the SMILES notation for (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole?
The canonical SMILES for (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole is C=C[C@@H]1Cc2c(C(F)F)nn(C)c2C1(F)F.
What is the InChIKey of (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole?
The InChIKey is PVWOAKRLKNGLMA-RXMQYKEDSA-N. The full InChI is InChI=1S/C10H10F4N2/c1-3-5-4-6-7(9(11)12)15-16(2)8(6)10(5,13)14/h3,5,9H,1,4H2,2H3/t5-/m1/s1.
What are the key properties of (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole?
(5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole has a molecular weight of 234.20 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(difluoromethyl)-5-ethenyl-6,6-difluoro-1-methyl-4,5-dihydrocyclopenta[d]pyrazole is sourced from PubChem (CID 174090192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).