4-(3-fluorophenyl)-N,N-dimethylaniline

C14H14FN — CID 54450896

IUPAC4-(3-fluorophenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,1-2H3
InChIKeyWELKDWVNIMQRBN-UHFFFAOYSA-N
MW215.27 g/mol
LogP3.56
Rot. Bonds2

About 4-(3-fluorophenyl)-N,N-dimethylaniline

4-(3-fluorophenyl)-N,N-dimethylaniline (PubChem CID 54450896) has the molecular formula C14H14FN and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(3-fluorophenyl)-N,N-dimethylaniline.

Molecular Properties

Compound Name4-(3-fluorophenyl)-N,N-dimethylaniline
PubChem CID54450896
Molecular FormulaC14H14FN
Molecular Weight215.27 g/mol
Exact Mass215.11
IUPAC Name4-(3-fluorophenyl)-N,N-dimethylaniline
SMILESCN(C)c1ccc(-c2cccc(F)c2)cc1
InChIInChI=1S/C14H14FN/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,1-2H3
InChIKeyWELKDWVNIMQRBN-UHFFFAOYSA-N
XLogP3.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorophenyl)-N,N-dimethylaniline?
The IUPAC name of 4-(3-fluorophenyl)-N,N-dimethylaniline (CID 54450896) is 4-(3-fluorophenyl)-N,N-dimethylaniline.
What is the SMILES notation for 4-(3-fluorophenyl)-N,N-dimethylaniline?
The canonical SMILES for 4-(3-fluorophenyl)-N,N-dimethylaniline is CN(C)c1ccc(-c2cccc(F)c2)cc1.
What is the InChIKey of 4-(3-fluorophenyl)-N,N-dimethylaniline?
The InChIKey is WELKDWVNIMQRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN/c1-16(2)14-8-6-11(7-9-14)12-4-3-5-13(15)10-12/h3-10H,1-2H3.
What are the key properties of 4-(3-fluorophenyl)-N,N-dimethylaniline?
4-(3-fluorophenyl)-N,N-dimethylaniline has a molecular weight of 215.27 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorophenyl)-N,N-dimethylaniline is sourced from PubChem (CID 54450896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).