N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline

C14H9Cl2F4N — CID 174671611

IUPACN-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline
SMILESFC(F)(F)C(F)(c1ccc(Cl)cc1)c1ccc(NCl)cc1
InChIInChI=1S/C14H9Cl2F4N/c15-11-5-1-9(2-6-11)13(17,14(18,19)20)10-3-7-12(21-16)8-4-10/h1-8,21H
InChIKeyAYXBXMRCGLXAKL-UHFFFAOYSA-N
MW338.13 g/mol
LogP5.68
Rot. Bonds3

About N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline

N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline (PubChem CID 174671611) has the molecular formula C14H9Cl2F4N and a molecular weight of 338.13 g/mol. Its IUPAC name is N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline.

Molecular Properties

Compound NameN-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline
PubChem CID174671611
Molecular FormulaC14H9Cl2F4N
Molecular Weight338.13 g/mol
Exact Mass337.00
IUPAC NameN-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline
SMILESFC(F)(F)C(F)(c1ccc(Cl)cc1)c1ccc(NCl)cc1
InChIInChI=1S/C14H9Cl2F4N/c15-11-5-1-9(2-6-11)13(17,14(18,19)20)10-3-7-12(21-16)8-4-10/h1-8,21H
InChIKeyAYXBXMRCGLXAKL-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.13
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

N-chloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)aniline
CID 151001244
chloromethane;1-chloro-4-(trifluoromethyl)benzene
CID 162019017
4-tert-butyl-N-(4-chlorophenyl)aniline
CID 15533800
(2S)-2-(4-chlorophenyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 95474245
1-chloro-4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)benzene
CID 10649896
4-chloro-N-[[4-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 5115489
4-chloro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]aniline
CID 43104527
1-chloro-4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]benzene
CID 14985084
(1S)-1-(4-chlorophenyl)-1-fluoroethanol
CID 175477652
2-(4-chlorophenyl)-2,2-difluoroacetonitrile
CID 23568092
2-(4-chloroanilino)-3,3,3-trifluoro-2-methylpropanenitrile
CID 106523230
N-[(4-chlorophenyl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 29042343

Frequently Asked Questions

What is the IUPAC name of N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline?
The IUPAC name of N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline (CID 174671611) is N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline.
What is the SMILES notation for N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline?
The canonical SMILES for N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline is FC(F)(F)C(F)(c1ccc(Cl)cc1)c1ccc(NCl)cc1.
What is the InChIKey of N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline?
The InChIKey is AYXBXMRCGLXAKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2F4N/c15-11-5-1-9(2-6-11)13(17,14(18,19)20)10-3-7-12(21-16)8-4-10/h1-8,21H.
What are the key properties of N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline?
N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline has a molecular weight of 338.13 g/mol, XLogP of 5.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-4-[1-(4-chlorophenyl)-1,2,2,2-tetrafluoroethyl]aniline is sourced from PubChem (CID 174671611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).