5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline

C9H8F5N — CID 177009324

IUPAC5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline
SMILESCCc1cc(N)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C9H8F5N/c1-2-4-3-5(15)7(10)8(11)6(4)9(12,13)14/h3H,2,15H2,1H3
InChIKeyCDGMVIYKFRABCI-UHFFFAOYSA-N
MW225.16 g/mol
LogP3.13
Rot. Bonds1

About 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline

5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline (PubChem CID 177009324) has the molecular formula C9H8F5N and a molecular weight of 225.16 g/mol. Its IUPAC name is 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline
PubChem CID177009324
Molecular FormulaC9H8F5N
Molecular Weight225.16 g/mol
Exact Mass225.06
IUPAC Name5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline
SMILESCCc1cc(N)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C9H8F5N/c1-2-4-3-5(15)7(10)8(11)6(4)9(12,13)14/h3H,2,15H2,1H3
InChIKeyCDGMVIYKFRABCI-UHFFFAOYSA-N
XLogP3.13
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.16
LogP ≤ 53.13
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

4-ethyl-2-fluoro-3-(trifluoromethyl)aniline;hydrochloride
CID 68821424
3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline
CID 167292102
3,5-diethyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 150498422
1-ethyl-2,4-difluoro-3-(trifluoromethyl)benzene
CID 19702594
4-ethyl-2-fluoro-3-(trifluoromethyl)benzaldehyde
CID 166657109
4-(difluoromethyl)-5-ethyl-2-fluoro-3-methylaniline
CID 170594248
1-ethyl-2,4,6-trifluoro-3,5-bis(trifluoromethyl)benzene
CID 169121749
5-[5-[5-amino-2,4-difluoro-3-(trifluoromethyl)phenoxy]-3,4-difluoro-2-(trifluoromethyl)phenoxy]-2,4-difluoro-3-(trifluoromethyl)aniline
CID 18692206
1-chloro-3,5-diethyl-2-(trifluoromethyl)benzene
CID 148992984
1,3-diethyl-2-(trifluoromethyl)benzene
CID 91552460
ethane;1,2,3,5-tetrafluoro-4,6-bis(trifluoromethyl)benzene
CID 145102025
3-tert-butyl-5-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 176776154

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline?
The IUPAC name of 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline (CID 177009324) is 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline.
What is the SMILES notation for 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline?
The canonical SMILES for 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline is CCc1cc(N)c(F)c(F)c1C(F)(F)F.
What is the InChIKey of 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline?
The InChIKey is CDGMVIYKFRABCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F5N/c1-2-4-3-5(15)7(10)8(11)6(4)9(12,13)14/h3H,2,15H2,1H3.
What are the key properties of 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline?
5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline has a molecular weight of 225.16 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 177009324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).