3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline

C10H10ClF4N — CID 170421614

IUPAC3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)c1cc(N)c(F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C10H10ClF4N/c1-4(2)5-3-6(16)9(12)8(11)7(5)10(13,14)15/h3-4H,16H2,1-2H3
InChIKeyYUILWLFGNDEVHV-UHFFFAOYSA-N
MW255.64 g/mol
LogP4.20
Rot. Bonds1

About 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline

3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline (PubChem CID 170421614) has the molecular formula C10H10ClF4N and a molecular weight of 255.64 g/mol. Its IUPAC name is 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline
PubChem CID170421614
Molecular FormulaC10H10ClF4N
Molecular Weight255.64 g/mol
Exact Mass255.04
IUPAC Name3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)c1cc(N)c(F)c(Cl)c1C(F)(F)F
InChIInChI=1S/C10H10ClF4N/c1-4(2)5-3-6(16)9(12)8(11)7(5)10(13,14)15/h3-4H,16H2,1-2H3
InChIKeyYUILWLFGNDEVHV-UHFFFAOYSA-N
XLogP4.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.64
LogP ≤ 54.20
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

2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline
CID 170422929
3-tert-butyl-5-chloro-2-fluoro-4-(trifluoromethyl)aniline
CID 176776154
4,5-di(propan-2-yl)benzene-1,2-diamine
CID 122607621
1-(2,4-difluoro-6-propan-2-ylphenyl)-2,3,5,6-tetrafluoro-4-(trifluoromethyl)benzene
CID 170246537
ethane;2-fluoro-5-propan-2-yl-3-(trifluoromethyl)aniline
CID 166546448
2-chloro-4-methyl-3-(trifluoromethyl)aniline
CID 119003965
1,3-dichloro-5-propan-2-yl-2-(trifluoromethyl)benzene
CID 155380246
3-butan-2-yl-2-chloro-5-methyl-4-(trifluoromethyl)aniline
CID 170594256
1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
CID 75406204
3-ethyl-2,5-difluoro-4-(trifluoromethyl)aniline
CID 167292102
5-ethyl-2,3-difluoro-4-(trifluoromethyl)aniline
CID 177009324

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline (CID 170421614) is 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline is CC(C)c1cc(N)c(F)c(Cl)c1C(F)(F)F.
What is the InChIKey of 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline?
The InChIKey is YUILWLFGNDEVHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF4N/c1-4(2)5-3-6(16)9(12)8(11)7(5)10(13,14)15/h3-4H,16H2,1-2H3.
What are the key properties of 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline?
3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline has a molecular weight of 255.64 g/mol, XLogP of 4.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 170421614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).