ethane;2,3,4-trifluoro-N-methylaniline

C9H12F3N — CID 157043663

IUPACethane;2,3,4-trifluoro-N-methylaniline
SMILESCC.CNc1ccc(F)c(F)c1F
InChIInChI=1S/C7H6F3N.C2H6/c1-11-5-3-2-4(8)6(9)7(5)10;1-2/h2-3,11H,1H3;1-2H3
InChIKeyGWMMBIXTFOAYRR-UHFFFAOYSA-N
MW191.20 g/mol
LogP3.17
Rot. Bonds1

About ethane;2,3,4-trifluoro-N-methylaniline

ethane;2,3,4-trifluoro-N-methylaniline (PubChem CID 157043663) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is ethane;2,3,4-trifluoro-N-methylaniline.

Molecular Properties

Compound Nameethane;2,3,4-trifluoro-N-methylaniline
PubChem CID157043663
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Nameethane;2,3,4-trifluoro-N-methylaniline
SMILESCC.CNc1ccc(F)c(F)c1F
InChIInChI=1S/C7H6F3N.C2H6/c1-11-5-3-2-4(8)6(9)7(5)10;1-2/h2-3,11H,1H3;1-2H3
InChIKeyGWMMBIXTFOAYRR-UHFFFAOYSA-N
XLogP3.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N,3-dimethylaniline
CID 134441747
2,3-difluoro-N-methylaniline
CID 50998712
N,2,3,4-tetrafluoroaniline
CID 54516145
2-(methylamino)-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 62149736
4-fluoro-N,2,3-trimethylaniline
CID 155403467
2,3-difluoro-4-(methylamino)benzaldehyde
CID 141426329
N-methyl-2-(2,3,4-trifluoroanilino)acetamide
CID 28574383
3,4-dichloro-2-fluoro-N-methylaniline
CID 66609127
4-fluoro-N-methylnaphthalen-1-amine
CID 67709157
1-propan-2-yl-3-(2,3,4-trifluorophenyl)urea
CID 47173418
1-propan-2-yl-3-(2,3,4-trifluorophenyl)thiourea
CID 7991832
N'-propan-2-yl-N-(2,3,4-trifluorophenyl)oxamide
CID 47224066

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,4-trifluoro-N-methylaniline?
The IUPAC name of ethane;2,3,4-trifluoro-N-methylaniline (CID 157043663) is ethane;2,3,4-trifluoro-N-methylaniline.
What is the SMILES notation for ethane;2,3,4-trifluoro-N-methylaniline?
The canonical SMILES for ethane;2,3,4-trifluoro-N-methylaniline is CC.CNc1ccc(F)c(F)c1F.
What is the InChIKey of ethane;2,3,4-trifluoro-N-methylaniline?
The InChIKey is GWMMBIXTFOAYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3N.C2H6/c1-11-5-3-2-4(8)6(9)7(5)10;1-2/h2-3,11H,1H3;1-2H3.
What are the key properties of ethane;2,3,4-trifluoro-N-methylaniline?
ethane;2,3,4-trifluoro-N-methylaniline has a molecular weight of 191.20 g/mol, XLogP of 3.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,4-trifluoro-N-methylaniline is sourced from PubChem (CID 157043663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).