bis[[4-(trifluoromethyl)phenyl]methyl]azanium

C16H14F6N+ — CID 102517690

IUPACbis[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESFC(F)(F)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-8,23H,9-10H2/p+1
InChIKeyRTYCLZDMKHLTTA-UHFFFAOYSA-O
MW334.28 g/mol
LogP3.99
Rot. Bonds4

About bis[[4-(trifluoromethyl)phenyl]methyl]azanium

bis[[4-(trifluoromethyl)phenyl]methyl]azanium (PubChem CID 102517690) has the molecular formula C16H14F6N+ and a molecular weight of 334.28 g/mol. Its IUPAC name is bis[[4-(trifluoromethyl)phenyl]methyl]azanium.

Molecular Properties

Compound Namebis[[4-(trifluoromethyl)phenyl]methyl]azanium
PubChem CID102517690
Molecular FormulaC16H14F6N+
Molecular Weight334.28 g/mol
Exact Mass334.10
IUPAC Namebis[[4-(trifluoromethyl)phenyl]methyl]azanium
SMILESFC(F)(F)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-8,23H,9-10H2/p+1
InChIKeyRTYCLZDMKHLTTA-UHFFFAOYSA-O
XLogP3.99
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.28
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

bis[[4-(trifluoromethyl)phenyl]methyl]azanium hexafluorophosphate
CID 53342060
[4-(trifluoromethyl)phenyl]-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 101373998
1-[4-(trifluoromethyl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]methanamine
CID 594666
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
1-(2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 14921472
N,N,N',N'-tetrakis[[4-(trifluoromethyl)phenyl]methyl]ethane-1,2-diamine
CID 139171038
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
CID 19095059
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
[4-(trifluoromethyl)phenyl]methoxyazanium
CID 3744378
[4-[4-(trifluoromethyl)phenyl]phenyl]methylarsane
CID 173105790
dimethyl-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]stibane
CID 87141209
1-(3,3,3-trifluoro-2,2-dimethylpropyl)-4-(trifluoromethyl)benzene
CID 139245832

Frequently Asked Questions

What is the IUPAC name of bis[[4-(trifluoromethyl)phenyl]methyl]azanium?
The IUPAC name of bis[[4-(trifluoromethyl)phenyl]methyl]azanium (CID 102517690) is bis[[4-(trifluoromethyl)phenyl]methyl]azanium.
What is the SMILES notation for bis[[4-(trifluoromethyl)phenyl]methyl]azanium?
The canonical SMILES for bis[[4-(trifluoromethyl)phenyl]methyl]azanium is FC(F)(F)c1ccc(C[NH2+]Cc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of bis[[4-(trifluoromethyl)phenyl]methyl]azanium?
The InChIKey is RTYCLZDMKHLTTA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H13F6N/c17-15(18,19)13-5-1-11(2-6-13)9-23-10-12-3-7-14(8-4-12)16(20,21)22/h1-8,23H,9-10H2/p+1.
What are the key properties of bis[[4-(trifluoromethyl)phenyl]methyl]azanium?
bis[[4-(trifluoromethyl)phenyl]methyl]azanium has a molecular weight of 334.28 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for bis[[4-(trifluoromethyl)phenyl]methyl]azanium is sourced from PubChem (CID 102517690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).