2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine

C10H11F4N — CID 43566240

IUPAC2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESFc1cccc(CCNCC(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c11-9-3-1-2-8(6-9)4-5-15-7-10(12,13)14/h1-3,6,15H,4-5,7H2
InChIKeyRKZVOAZZFGFTPA-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.52
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine

2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine (PubChem CID 43566240) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
PubChem CID43566240
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine
SMILESFc1cccc(CCNCC(F)(F)F)c1
InChIInChI=1S/C10H11F4N/c11-9-3-1-2-8(6-9)4-5-15-7-10(12,13)14/h1-3,6,15H,4-5,7H2
InChIKeyRKZVOAZZFGFTPA-UHFFFAOYSA-N
XLogP2.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3-fluorophenyl)ethylamino]-2-methylpropan-2-ol
CID 60885285
N'-[2-(3-fluorophenyl)ethyl]-N-methylbutane-1,4-diamine
CID 115202153
2-[[2-(3-fluorophenyl)ethylamino]methyl]phenol
CID 43565959
N-[2-(3,5-difluorophenyl)ethyl]-2,2-difluoro-2-phenylethanamine
CID 116789040
N-[2-[3-(benzhydrylideneamino)phenyl]ethyl]-2,2,2-trifluoroethanamine
CID 146267009
N-[2-(3-fluorophenyl)ethyl]-4-methylpentan-1-amine
CID 83157209
N',N'-diethyl-N-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
CID 43566239
N-[2-(3-fluorophenyl)ethyl]pent-3-yn-1-amine
CID 104806276
5-[[2-(3-fluorophenyl)ethylamino]methyl]thiophene-3-carbonitrile
CID 79544897
N-[2-(3-fluorophenyl)ethyl]-2-(trifluoromethyl)aniline
CID 63535412
N-[2-[2-(3-fluorophenyl)ethylamino]ethyl]acetamide
CID 103605841
N-[2-(3-chlorophenyl)ethyl]-2-fluoro-2-methylpropan-1-amine
CID 83823795

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine (CID 43566240) is 2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine is Fc1cccc(CCNCC(F)(F)F)c1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine?
The InChIKey is RKZVOAZZFGFTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c11-9-3-1-2-8(6-9)4-5-15-7-10(12,13)14/h1-3,6,15H,4-5,7H2.
What are the key properties of 2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine?
2,2,2-trifluoro-N-[2-(3-fluorophenyl)ethyl]ethanamine has a molecular weight of 221.20 g/mol, XLogP of 2.52, 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-[2-(3-fluorophenyl)ethyl]ethanamine is sourced from PubChem (CID 43566240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).