3,3-bis[chloro(difluoro)methyl]diazirine

C3Cl2F4N2 — CID 131851692

IUPAC3,3-bis[chloro(difluoro)methyl]diazirine
SMILESFC(F)(Cl)C1(C(F)(F)Cl)N=N1
InChIInChI=1S/C3Cl2F4N2/c4-2(6,7)1(10-11-1)3(5,8)9
InChIKeyJFFCGWBWXRUPLD-UHFFFAOYSA-N
MW210.95 g/mol
LogP2.81
Rot. Bonds2

About 3,3-bis[chloro(difluoro)methyl]diazirine

3,3-bis[chloro(difluoro)methyl]diazirine (PubChem CID 131851692) has the molecular formula C3Cl2F4N2 and a molecular weight of 210.95 g/mol. Its IUPAC name is 3,3-bis[chloro(difluoro)methyl]diazirine.

Molecular Properties

Compound Name3,3-bis[chloro(difluoro)methyl]diazirine
PubChem CID131851692
Molecular FormulaC3Cl2F4N2
Molecular Weight210.95 g/mol
Exact Mass209.94
IUPAC Name3,3-bis[chloro(difluoro)methyl]diazirine
SMILESFC(F)(Cl)C1(C(F)(F)Cl)N=N1
InChIInChI=1S/C3Cl2F4N2/c4-2(6,7)1(10-11-1)3(5,8)9
InChIKeyJFFCGWBWXRUPLD-UHFFFAOYSA-N
XLogP2.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.95
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-1-[3-(trifluoromethyl)diazirin-3-yl]ethane-1,1-diol
CID 13213073
chloro(trifluoro)methane;hydrofluoride
CID 158114823
trichloro(fluoro)methane;hydrochloride
CID 88794151
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
CID 87149172
CID 87149172
dichloro(difluoro)methane;methane;trichloro(fluoro)methane
CID 157345787
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426
tetrachlorosilane;tetrafluoromethane
CID 174408151
CID 102071803
CID 102071803
chloro(trifluoro)methane;ethane
CID 23131533
CID 22216068
CID 22216068
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[chloro(difluoro)methyl]diazirine?
The IUPAC name of 3,3-bis[chloro(difluoro)methyl]diazirine (CID 131851692) is 3,3-bis[chloro(difluoro)methyl]diazirine.
What is the SMILES notation for 3,3-bis[chloro(difluoro)methyl]diazirine?
The canonical SMILES for 3,3-bis[chloro(difluoro)methyl]diazirine is FC(F)(Cl)C1(C(F)(F)Cl)N=N1.
What is the InChIKey of 3,3-bis[chloro(difluoro)methyl]diazirine?
The InChIKey is JFFCGWBWXRUPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl2F4N2/c4-2(6,7)1(10-11-1)3(5,8)9.
What are the key properties of 3,3-bis[chloro(difluoro)methyl]diazirine?
3,3-bis[chloro(difluoro)methyl]diazirine has a molecular weight of 210.95 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 3,3-bis[chloro(difluoro)methyl]diazirine is sourced from PubChem (CID 131851692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).