4-chloro-2-fluoro-N,N-diphenylaniline

C18H13ClFN — CID 175067444

IUPAC4-chloro-2-fluoro-N,N-diphenylaniline
SMILESFc1cc(Cl)ccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13ClFN/c19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H
InChIKeyMBNIRYCKABUHKA-UHFFFAOYSA-N
MW297.76 g/mol
LogP5.95
Rot. Bonds3

About 4-chloro-2-fluoro-N,N-diphenylaniline

4-chloro-2-fluoro-N,N-diphenylaniline (PubChem CID 175067444) has the molecular formula C18H13ClFN and a molecular weight of 297.76 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N,N-diphenylaniline.

Molecular Properties

Compound Name4-chloro-2-fluoro-N,N-diphenylaniline
PubChem CID175067444
Molecular FormulaC18H13ClFN
Molecular Weight297.76 g/mol
Exact Mass297.07
IUPAC Name4-chloro-2-fluoro-N,N-diphenylaniline
SMILESFc1cc(Cl)ccc1N(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H13ClFN/c19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H
InChIKeyMBNIRYCKABUHKA-UHFFFAOYSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.76
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N,N-diphenylaniline?
The IUPAC name of 4-chloro-2-fluoro-N,N-diphenylaniline (CID 175067444) is 4-chloro-2-fluoro-N,N-diphenylaniline.
What is the SMILES notation for 4-chloro-2-fluoro-N,N-diphenylaniline?
The canonical SMILES for 4-chloro-2-fluoro-N,N-diphenylaniline is Fc1cc(Cl)ccc1N(c1ccccc1)c1ccccc1.
What is the InChIKey of 4-chloro-2-fluoro-N,N-diphenylaniline?
The InChIKey is MBNIRYCKABUHKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN/c19-14-11-12-18(17(20)13-14)21(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13H.
What are the key properties of 4-chloro-2-fluoro-N,N-diphenylaniline?
4-chloro-2-fluoro-N,N-diphenylaniline has a molecular weight of 297.76 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N,N-diphenylaniline is sourced from PubChem (CID 175067444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).