2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine

C15H13F4N — CID 43185219

IUPAC2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
SMILESFc1ccc(C(NCC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C15H13F4N/c16-13-8-6-12(7-9-13)14(20-10-15(17,18)19)11-4-2-1-3-5-11/h1-9,14,20H,10H2
InChIKeyYKJBRKOFHQUBOF-UHFFFAOYSA-N
MW283.27 g/mol
LogP4.07
Rot. Bonds4

About 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine

2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine (PubChem CID 43185219) has the molecular formula C15H13F4N and a molecular weight of 283.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
PubChem CID43185219
Molecular FormulaC15H13F4N
Molecular Weight283.27 g/mol
Exact Mass283.10
IUPAC Name2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine
SMILESFc1ccc(C(NCC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C15H13F4N/c16-13-8-6-12(7-9-13)14(20-10-15(17,18)19)11-4-2-1-3-5-11/h1-9,14,20H,10H2
InChIKeyYKJBRKOFHQUBOF-UHFFFAOYSA-N
XLogP4.07
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
N-[(4-fluorophenyl)-phenylmethyl]-2,2-dimethoxyethanamine
CID 60816952
N-[(4-fluorophenyl)-phenylmethyl]-2-methylprop-2-en-1-amine
CID 115588694
N-(2-chloro-1-phenylethyl)-2,2,2-trifluoroethanamine
CID 65025465
2-(benzhydrylamino)-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8596621
2-methyl-1-phenyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43426280
3-[[(4-fluorophenyl)-phenylmethyl]amino]-2-hydroxypropanamide
CID 106171119
N-[(4-fluorophenyl)-phenylmethyl]-3-methylsulfanylbutan-1-amine
CID 115676736
2-[[(4-fluorophenyl)-phenylmethyl]amino]propane-1,3-diol
CID 65312987
1-(4-fluorophenyl)-1-phenyl-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 61000493
2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 8641468
N-[(S)-(4-fluorophenyl)-phenylmethyl]formamide
CID 11499592

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine (CID 43185219) is 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine is Fc1ccc(C(NCC(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine?
The InChIKey is YKJBRKOFHQUBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N/c16-13-8-6-12(7-9-13)14(20-10-15(17,18)19)11-4-2-1-3-5-11/h1-9,14,20H,10H2.
What are the key properties of 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine?
2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine has a molecular weight of 283.27 g/mol, XLogP of 4.07, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[(4-fluorophenyl)-phenylmethyl]ethanamine is sourced from PubChem (CID 43185219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).