2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline

C10H9ClF5N — CID 170422929

IUPAC2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)c1c(Cl)c(N)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C10H9ClF5N/c1-3(2)4-5(10(14,15)16)7(12)8(13)9(17)6(4)11/h3H,17H2,1-2H3
InChIKeyKPZIYHOYAAZJPJ-UHFFFAOYSA-N
MW273.63 g/mol
LogP4.34
Rot. Bonds1

About 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline

2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline (PubChem CID 170422929) has the molecular formula C10H9ClF5N and a molecular weight of 273.63 g/mol. Its IUPAC name is 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline
PubChem CID170422929
Molecular FormulaC10H9ClF5N
Molecular Weight273.63 g/mol
Exact Mass273.03
IUPAC Name2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)c1c(Cl)c(N)c(F)c(F)c1C(F)(F)F
InChIInChI=1S/C10H9ClF5N/c1-3(2)4-5(10(14,15)16)7(12)8(13)9(17)6(4)11/h3H,17H2,1-2H3
InChIKeyKPZIYHOYAAZJPJ-UHFFFAOYSA-N
XLogP4.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.63
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4,5,6-trifluoro-3-propan-2-ylaniline
CID 156531002
2-chloro-3,5,6-trifluoro-4-(trifluoromethyl)aniline
CID 19914160
2,4-dichloro-3,6-difluoro-5-propan-2-ylaniline
CID 156531013
3,4,5-trichloro-2-fluoro-6-propan-2-ylaniline
CID 156531103
3-chloro-2,4,5-trifluoro-6-propan-2-ylaniline
CID 156531072
3-chloro-2-fluoro-5-propan-2-yl-4-(trifluoromethyl)aniline
CID 170421614
1,2,3-trifluoro-5-methyl-4-propan-2-yl-6-(trifluoromethyl)benzene
CID 175404259
1,2,4,5-tetrachloro-3,6-bis(trifluoromethyl)benzene
CID 88805355
1,3,5-trichloro-2,4,6-tris(trifluoromethyl)benzene
CID 75406204
3,4,5-trichloro-2,6-di(propan-2-yl)aniline
CID 141053137
1,3-dichloro-2,4,6-trifluoro-5-propan-2-ylbenzene
CID 170123757
[2,5-difluoro-4-propan-2-yl-3-(trifluoromethyl)phenyl]phosphane
CID 176962658

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline (CID 170422929) is 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline is CC(C)c1c(Cl)c(N)c(F)c(F)c1C(F)(F)F.
What is the InChIKey of 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline?
The InChIKey is KPZIYHOYAAZJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF5N/c1-3(2)4-5(10(14,15)16)7(12)8(13)9(17)6(4)11/h3H,17H2,1-2H3.
What are the key properties of 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline?
2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline has a molecular weight of 273.63 g/mol, XLogP of 4.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5,6-difluoro-3-propan-2-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 170422929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).