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

C10H11ClF3N — CID 137421494

IUPAC3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF3N/c1-6(2)15-7-3-4-8(9(11)5-7)10(12,13)14/h3-6,15H,1-2H3
InChIKeyJGAQEMXGPPTFRU-UHFFFAOYSA-N
MW237.65 g/mol
LogP4.18
Rot. Bonds2

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

3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline (PubChem CID 137421494) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is 3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline
PubChem CID137421494
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline
SMILESCC(C)Nc1ccc(C(F)(F)F)c(Cl)c1
InChIInChI=1S/C10H11ClF3N/c1-6(2)15-7-3-4-8(9(11)5-7)10(12,13)14/h3-6,15H,1-2H3
InChIKeyJGAQEMXGPPTFRU-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline?
The IUPAC name of 3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline (CID 137421494) is 3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline.
What is the SMILES notation for 3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline?
The canonical SMILES for 3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline is CC(C)Nc1ccc(C(F)(F)F)c(Cl)c1.
What is the InChIKey of 3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline?
The InChIKey is JGAQEMXGPPTFRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N/c1-6(2)15-7-3-4-8(9(11)5-7)10(12,13)14/h3-6,15H,1-2H3.
What are the key properties of 3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline?
3-chloro-N-propan-2-yl-4-(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 3-chloro-N-propan-2-yl-4-(trifluoromethyl)aniline is sourced from PubChem (CID 137421494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).