2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline

C16H12Cl2F3N — CID 11617162

IUPAC2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCC(=C(Cl)Cl)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12Cl2F3N/c1-10(15(17)18)13-4-2-3-5-14(13)22-12-8-6-11(7-9-12)16(19,20)21/h2-9,22H,1H3
InChIKeyBLUPNVCVQNGEIK-UHFFFAOYSA-N
MW346.18 g/mol
LogP6.62
Rot. Bonds3

About 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline

2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline (PubChem CID 11617162) has the molecular formula C16H12Cl2F3N and a molecular weight of 346.18 g/mol. Its IUPAC name is 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline
PubChem CID11617162
Molecular FormulaC16H12Cl2F3N
Molecular Weight346.18 g/mol
Exact Mass345.03
IUPAC Name2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline
SMILESCC(=C(Cl)Cl)c1ccccc1Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H12Cl2F3N/c1-10(15(17)18)13-4-2-3-5-14(13)22-12-8-6-11(7-9-12)16(19,20)21/h2-9,22H,1H3
InChIKeyBLUPNVCVQNGEIK-UHFFFAOYSA-N
XLogP6.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.18
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[4-(trifluoromethyl)anilino]benzamide
CID 71461991
2-(1,1-dichloroprop-1-en-2-yl)aniline;2-(1,1-dichloroprop-1-en-2-yl)-N-(4-fluorophenyl)aniline
CID 158120640
[2-[4-(trifluoromethyl)anilino]phenyl]methanediol
CID 166685653
N'-(2-cyano-2-methylpropanoyl)-2-[4-(trifluoromethyl)anilino]benzohydrazide
CID 155224042
ethane;formamide;N-(1-hydroxyethyl)-2-[4-(trifluoromethyl)anilino]benzamide
CID 155713070
ethane;4-(trifluoromethyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 144664157
2-(3-methylanilino)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 21179492
[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 155211805
2-(2-bromoethynyl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 143581893
ethane;1-phenylsulfanyl-3-[[2-[4-(trifluoromethyl)anilino]benzoyl]amino]urea
CID 155713022
methyl-[2-oxo-2-[2-[2-[4-(trifluoromethyl)anilino]benzoyl]hydrazinyl]ethyl]carbamic acid
CID 166680960
ethane;2-[3-(trifluoromethyl)anilino]benzamide
CID 142468111

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline (CID 11617162) is 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline is CC(=C(Cl)Cl)c1ccccc1Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
The InChIKey is BLUPNVCVQNGEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F3N/c1-10(15(17)18)13-4-2-3-5-14(13)22-12-8-6-11(7-9-12)16(19,20)21/h2-9,22H,1H3.
What are the key properties of 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline?
2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline has a molecular weight of 346.18 g/mol, XLogP of 6.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dichloroprop-1-en-2-yl)-N-[4-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 11617162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).