[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride

C9H9ClF3N3 — CID 66870186

IUPAC[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C9H8F3N3.ClH/c10-9(11,12)8(14-15-8)7-3-1-6(5-13)2-4-7;/h1-4H,5,13H2;1H
InChIKeyDNTDGTWJZOMTAK-UHFFFAOYSA-N
MW251.64 g/mol
LogP2.75
Rot. Bonds2

About [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride

[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride (PubChem CID 66870186) has the molecular formula C9H9ClF3N3 and a molecular weight of 251.64 g/mol. Its IUPAC name is [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride
PubChem CID66870186
Molecular FormulaC9H9ClF3N3
Molecular Weight251.64 g/mol
Exact Mass251.04
IUPAC Name[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(C2(C(F)(F)F)N=N2)cc1
InChIInChI=1S/C9H8F3N3.ClH/c10-9(11,12)8(14-15-8)7-3-1-6(5-13)2-4-7;/h1-4H,5,13H2;1H
InChIKeyDNTDGTWJZOMTAK-UHFFFAOYSA-N
XLogP2.75
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.64
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-Benzenedimethanamine
CID 68315
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine
CID 1988106
alpha-Methyl-4-(trifluoromethyl)benzeneethanamine
CID 121502
3-(Trifluoromethyl)benzylamine
CID 75962
4-(Trifluoromethyl)benzylamine
CID 76804
(4-Ethylphenyl)methanamine
CID 3870219
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)benzylamine
CID 16211122
4-(Trifluoromethyl)benzylamine Hydrochloride
CID 16090351
Benzenemethanamine, 3-(trifluoromethyl)-, hydrochloride (1:1)
CID 49795974
alpha-(Trifluoromethyl)benzenemethanamine
CID 89166
3-(4-(bromomethyl)phenyl)-3-(trifluoromethyl)-3H-diazirine
CID 10826496
2,2,2-Trifluoro-1-phenylethan-1-amine--hydrogen chloride (1/1)
CID 12622930

Frequently Asked Questions

What is the IUPAC name of [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride?
The IUPAC name of [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride (CID 66870186) is [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride.
What is the SMILES notation for [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride?
The canonical SMILES for [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride is Cl.NCc1ccc(C2(C(F)(F)F)N=N2)cc1.
What is the InChIKey of [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride?
The InChIKey is DNTDGTWJZOMTAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3.ClH/c10-9(11,12)8(14-15-8)7-3-1-6(5-13)2-4-7;/h1-4H,5,13H2;1H.
What are the key properties of [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride?
[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride has a molecular weight of 251.64 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]methanamine;hydrochloride is sourced from PubChem (CID 66870186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).