4-chloro-2-(1,1-difluoroethyl)aniline

C8H8ClF2N — CID 123877907

IUPAC4-chloro-2-(1,1-difluoroethyl)aniline
SMILESCC(F)(F)c1cc(Cl)ccc1N
InChIInChI=1S/C8H8ClF2N/c1-8(10,11)6-4-5(9)2-3-7(6)12/h2-4H,12H2,1H3
InChIKeyRWAZHBKFARJAFH-UHFFFAOYSA-N
MW191.61 g/mol
LogP3.03
Rot. Bonds1

About 4-chloro-2-(1,1-difluoroethyl)aniline

4-chloro-2-(1,1-difluoroethyl)aniline (PubChem CID 123877907) has the molecular formula C8H8ClF2N and a molecular weight of 191.61 g/mol. Its IUPAC name is 4-chloro-2-(1,1-difluoroethyl)aniline.

Molecular Properties

Compound Name4-chloro-2-(1,1-difluoroethyl)aniline
PubChem CID123877907
Molecular FormulaC8H8ClF2N
Molecular Weight191.61 g/mol
Exact Mass191.03
IUPAC Name4-chloro-2-(1,1-difluoroethyl)aniline
SMILESCC(F)(F)c1cc(Cl)ccc1N
InChIInChI=1S/C8H8ClF2N/c1-8(10,11)6-4-5(9)2-3-7(6)12/h2-4H,12H2,1H3
InChIKeyRWAZHBKFARJAFH-UHFFFAOYSA-N
XLogP3.03
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.61
LogP ≤ 53.03
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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1,1-difluoroethyl)aniline?
The IUPAC name of 4-chloro-2-(1,1-difluoroethyl)aniline (CID 123877907) is 4-chloro-2-(1,1-difluoroethyl)aniline.
What is the SMILES notation for 4-chloro-2-(1,1-difluoroethyl)aniline?
The canonical SMILES for 4-chloro-2-(1,1-difluoroethyl)aniline is CC(F)(F)c1cc(Cl)ccc1N.
What is the InChIKey of 4-chloro-2-(1,1-difluoroethyl)aniline?
The InChIKey is RWAZHBKFARJAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2N/c1-8(10,11)6-4-5(9)2-3-7(6)12/h2-4H,12H2,1H3.
What are the key properties of 4-chloro-2-(1,1-difluoroethyl)aniline?
4-chloro-2-(1,1-difluoroethyl)aniline has a molecular weight of 191.61 g/mol, XLogP of 3.03, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1,1-difluoroethyl)aniline is sourced from PubChem (CID 123877907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).