4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline

C10H12F3N — CID 170594248

IUPAC4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline
SMILESCCc1cc(N)c(F)c(C)c1C(F)F
InChIInChI=1S/C10H12F3N/c1-3-6-4-7(14)9(11)5(2)8(6)10(12)13/h4,10H,3,14H2,1-2H3
InChIKeyADVQDOWOUFDIJQ-UHFFFAOYSA-N
MW203.21 g/mol
LogP3.22
Rot. Bonds2

About 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline

4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline (PubChem CID 170594248) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline.

Molecular Properties

Compound Name4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline
PubChem CID170594248
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline
SMILESCCc1cc(N)c(F)c(C)c1C(F)F
InChIInChI=1S/C10H12F3N/c1-3-6-4-7(14)9(11)5(2)8(6)10(12)13/h4,10H,3,14H2,1-2H3
InChIKeyADVQDOWOUFDIJQ-UHFFFAOYSA-N
XLogP3.22
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-3-ethyl-2-methylaniline
CID 134183684
5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline
CID 177009324
1-[4-(difluoromethyl)-3-ethyl-5-methylphenyl]ethanone
CID 131626156
4-amino-2-ethyl-5-methylphenol
CID 105429592
4-amino-3-fluoro-2-methyl-6-methylsulfanylbenzaldehyde
CID 170421497
ethyl 5-amino-4-(difluoromethyl)-3-fluoropyridine-2-carboxylate
CID 134675966
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 4-amino-6-bromo-3-(difluoromethyl)pyridine-2-carboxylate
CID 134684567
ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134673268
3,5-diethyl-2-methylaniline
CID 105432272
4-ethyl-5-fluoro-1-N-propan-2-ylbenzene-1,2-diamine
CID 162381619
4-amino-3-(difluoromethyl)-6-methyl-1H-pyridin-2-one
CID 118823289

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline?
The IUPAC name of 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline (CID 170594248) is 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline.
What is the SMILES notation for 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline?
The canonical SMILES for 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline is CCc1cc(N)c(F)c(C)c1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline?
The InChIKey is ADVQDOWOUFDIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-3-6-4-7(14)9(11)5(2)8(6)10(12)13/h4,10H,3,14H2,1-2H3.
What are the key properties of 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline?
4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline has a molecular weight of 203.21 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline is sourced from PubChem (CID 170594248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).