2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline

C10H11ClF3N — CID 163367228

IUPAC2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)c1cc(C(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C10H11ClF3N/c1-5(2)7-3-6(10(12,13)14)4-8(11)9(7)15/h3-5H,15H2,1-2H3
InChIKeyHFRQMBPQSLFAPH-UHFFFAOYSA-N
MW237.65 g/mol
LogP4.06
Rot. Bonds1

About 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline

2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline (PubChem CID 163367228) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline
PubChem CID163367228
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)c1cc(C(F)(F)F)cc(Cl)c1N
InChIInChI=1S/C10H11ClF3N/c1-5(2)7-3-6(10(12,13)14)4-8(11)9(7)15/h3-5H,15H2,1-2H3
InChIKeyHFRQMBPQSLFAPH-UHFFFAOYSA-N
XLogP4.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 54.06
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-6-methylaniline
CID 6897
2-Chloro-4,6-dimethylaniline
CID 113033
2-Chloro-4-trifluoromethylaniline
CID 162001
4-Amino-3,5-dichlorobenzotrifluoride
CID 141094
4-Chloro-2,6-dimethylaniline
CID 5073362
2-Chloro-6-ethyl-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
CID 117632184
4-Amino-3-chloro-5-methylbenzonitrile
CID 2735301
2-Chloro-6-(trifluoromethyl)aniline
CID 2756384
2,6-Dichloro-4-(perfluoropropan-2-yl)aniline
CID 10019496
2-Chloro-4-isopropylaniline
CID 12667941
4-Amino-3-chloro-5-(trifluoromethyl)benzonitrile
CID 17750543
4-Chloro-2,6-dimethylaniline--hydrogen chloride (1/1)
CID 18406981

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline?
The IUPAC name of 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline (CID 163367228) is 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline is CC(C)c1cc(C(F)(F)F)cc(Cl)c1N.
What is the InChIKey of 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline?
The InChIKey is HFRQMBPQSLFAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-5(2)7-3-6(10(12,13)14)4-8(11)9(7)15/h3-5H,15H2,1-2H3.
What are the key properties of 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline?
2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline has a molecular weight of 237.65 g/mol, XLogP of 4.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-propan-2-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 163367228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).