3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine

C10H6BrF3N2 — CID 11254800

IUPAC3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine
SMILESFC(F)(F)C1(c2ccc(/C=C\Br)cc2)N=N1
InChIInChI=1S/C10H6BrF3N2/c11-6-5-7-1-3-8(4-2-7)9(15-16-9)10(12,13)14/h1-6H/b6-5-
InChIKeyCBWUHPGAVONMOW-WAYWQWQTSA-N
MW291.07 g/mol
LogP4.23
Rot. Bonds2

About 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine

3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine (PubChem CID 11254800) has the molecular formula C10H6BrF3N2 and a molecular weight of 291.07 g/mol. Its IUPAC name is 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine.

Molecular Properties

Compound Name3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine
PubChem CID11254800
Molecular FormulaC10H6BrF3N2
Molecular Weight291.07 g/mol
Exact Mass289.97
IUPAC Name3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine
SMILESFC(F)(F)C1(c2ccc(/C=C\Br)cc2)N=N1
InChIInChI=1S/C10H6BrF3N2/c11-6-5-7-1-3-8(4-2-7)9(15-16-9)10(12,13)14/h1-6H/b6-5-
InChIKeyCBWUHPGAVONMOW-WAYWQWQTSA-N
XLogP4.23
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.07
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-(bromomethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine
CID 10826496
1-(1-Azidoethyl)-4-(trifluoromethyl)benzene
CID 101480597
1-(1-Azidoethyl)-2,3-difluoro-4-(trifluoromethyl) benzene
CID 122549966
3-Trifluoromethyl-3-phenyldiazirine
CID 11116743
3-(4-iodophenyl)-3-(trifluoromethyl)-3H-diazirine
CID 11674013
3-(Trifluoromethyl)-3-(3-iodophenyl)diazirine
CID 123866
3-(4-Tolyl)-3-(trifluoromethyl)diazirine
CID 137345
1-(Azidomethyl)-4-(trifluoromethyl)benzene
CID 49845947
3-(3-bromophenyl)-3-(trifluoromethyl)-3H-diazirine
CID 15684164
3-(4-bromophenyl)-3-(trifluoromethyl)-3H-diazirine
CID 17756145
4-(3-(Trifluoromethyl)-3H-diazirin-3-yl)benzylamine Hydrochloride
CID 66870186
3-[4-(2-bromoethyl)phenyl]-3-(trifluoromethyl)-3H-diazirine
CID 177747117

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine?
The IUPAC name of 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine (CID 11254800) is 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine.
What is the SMILES notation for 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine?
The canonical SMILES for 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine is FC(F)(F)C1(c2ccc(/C=C\Br)cc2)N=N1.
What is the InChIKey of 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine?
The InChIKey is CBWUHPGAVONMOW-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H6BrF3N2/c11-6-5-7-1-3-8(4-2-7)9(15-16-9)10(12,13)14/h1-6H/b6-5-.
What are the key properties of 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine?
3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine has a molecular weight of 291.07 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(Z)-2-bromoethenyl]phenyl]-3-(trifluoromethyl)diazirine is sourced from PubChem (CID 11254800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).