(5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole

C6H4ClF2IN2 — CID 163485881

IUPAC(5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole
SMILESFC1(F)c2[nH]nc(Cl)c2C[C@H]1I
InChIInChI=1S/C6H4ClF2IN2/c7-5-2-1-3(10)6(8,9)4(2)11-12-5/h3H,1H2,(H,11,12)/t3-/m1/s1
InChIKeyCIMITCAKQPHENZ-GSVOUGTGSA-N
MW304.47 g/mol
LogP2.51
Rot. Bonds

About (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole

(5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole (PubChem CID 163485881) has the molecular formula C6H4ClF2IN2 and a molecular weight of 304.47 g/mol. Its IUPAC name is (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole.

Molecular Properties

Compound Name(5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole
PubChem CID163485881
Molecular FormulaC6H4ClF2IN2
Molecular Weight304.47 g/mol
Exact Mass303.91
IUPAC Name(5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole
SMILESFC1(F)c2[nH]nc(Cl)c2C[C@H]1I
InChIInChI=1S/C6H4ClF2IN2/c7-5-2-1-3(10)6(8,9)4(2)11-12-5/h3H,1H2,(H,11,12)/t3-/m1/s1
InChIKeyCIMITCAKQPHENZ-GSVOUGTGSA-N
XLogP2.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.47
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole?
The IUPAC name of (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole (CID 163485881) is (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole.
What is the SMILES notation for (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole?
The canonical SMILES for (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole is FC1(F)c2[nH]nc(Cl)c2C[C@H]1I.
What is the InChIKey of (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole?
The InChIKey is CIMITCAKQPHENZ-GSVOUGTGSA-N. The full InChI is InChI=1S/C6H4ClF2IN2/c7-5-2-1-3(10)6(8,9)4(2)11-12-5/h3H,1H2,(H,11,12)/t3-/m1/s1.
What are the key properties of (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole?
(5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole has a molecular weight of 304.47 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-chloro-6,6-difluoro-5-iodo-4,5-dihydro-1H-cyclopenta[d]pyrazole is sourced from PubChem (CID 163485881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).