4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline

C10H11ClF3N — CID 21043795

IUPAC4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3N/c1-6(2)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6,15H,1-2H3
InChIKeyISCBRKXNOGVTAX-UHFFFAOYSA-N
MW237.65 g/mol
LogP4.18
Rot. Bonds2

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

4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline (PubChem CID 21043795) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
PubChem CID21043795
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H11ClF3N/c1-6(2)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6,15H,1-2H3
InChIKeyISCBRKXNOGVTAX-UHFFFAOYSA-N
XLogP4.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-chloro-N-[1-(1-methylcyclopropyl)ethyl]-3-(trifluoromethyl)aniline
CID 43363314
4-[1-[4-chloro-3-(trifluoromethyl)anilino]ethyl]phenol
CID 43245794
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropylpropanamide
CID 43082548
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
4-chloro-N-(4-methylpentyl)-3-(trifluoromethyl)aniline
CID 83155392
4-chloro-N-(4-propan-2-ylcyclohexyl)-3-(trifluoromethyl)aniline
CID 63423296
N-[4-chloro-3-(trifluoromethyl)phenyl]hydroxylamine;hydrochloride
CID 23155082
N-butan-2-yl-2-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 43243123
3-[4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylpropanamide
CID 62623936
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
propan-2-yl N-[4-chloro-3-(trifluoromethyl)phenyl]carbamate
CID 51062424
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline?
The IUPAC name of 4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline (CID 21043795) is 4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline.
What is the SMILES notation for 4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline?
The canonical SMILES for 4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline is CC(C)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline?
The InChIKey is ISCBRKXNOGVTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-6(2)15-7-3-4-9(11)8(5-7)10(12,13)14/h3-6,15H,1-2H3.
What are the key properties of 4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline?
4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline has a molecular weight of 237.65 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-propan-2-yl-3-(trifluoromethyl)aniline is sourced from PubChem (CID 21043795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).