3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine

C9H7F3N2O — CID 10465882

IUPAC3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine
SMILESCOc1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C9H7F3N2O/c1-15-7-4-2-3-6(5-7)8(13-14-8)9(10,11)12/h2-5H,1H3
InChIKeyUKSNCZYTAMEFBK-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.88
Rot. Bonds2

About 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine

3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine (PubChem CID 10465882) has the molecular formula C9H7F3N2O and a molecular weight of 216.16 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine
PubChem CID10465882
Molecular FormulaC9H7F3N2O
Molecular Weight216.16 g/mol
Exact Mass216.05
IUPAC Name3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine
SMILESCOc1cccc(C2(C(F)(F)F)N=N2)c1
InChIInChI=1S/C9H7F3N2O/c1-15-7-4-2-3-6(5-7)8(13-14-8)9(10,11)12/h2-5H,1H3
InChIKeyUKSNCZYTAMEFBK-UHFFFAOYSA-N
XLogP2.88
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-fluorophenyl)-3-(trifluoromethyl)diazirine
CID 133054743
1-methoxy-3-[1,4,4-tris(3-methoxyphenyl)cyclohexyl]benzene
CID 23534042
3-(3-methoxyphenyl)-3-methyldiaziridine
CID 167685636
azane;1,3-dimethoxybenzene
CID 70210283
tris(1,3-dimethoxybenzene);phosphane
CID 160853878
CID 172849383
CID 172849383
(3R)-3-fluoro-3-(3-methoxyphenyl)pyrrolidine
CID 124547155
1-(1,1-difluoroethyl)-3-methoxybenzene
CID 116841600
3-[2,4-dimethoxy-6-(2-phenylethenyl)phenyl]-3-(trifluoromethyl)diazirine
CID 140695800
3,3-difluoro-2-(3-methoxyphenyl)-2-methylpyrrolidine
CID 115035973
3-fluoro-1-(3-methoxyphenyl)-3-methylcyclopentan-1-amine
CID 115034038
1-(3-methoxyphenyl)-3-methylcyclobutan-1-amine;hydrochloride
CID 127264178

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine?
The IUPAC name of 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine (CID 10465882) is 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine.
What is the SMILES notation for 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine?
The canonical SMILES for 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine is COc1cccc(C2(C(F)(F)F)N=N2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine?
The InChIKey is UKSNCZYTAMEFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N2O/c1-15-7-4-2-3-6(5-7)8(13-14-8)9(10,11)12/h2-5H,1H3.
What are the key properties of 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine?
3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine has a molecular weight of 216.16 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-3-(trifluoromethyl)diazirine is sourced from PubChem (CID 10465882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).