4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline

C19H14F3N — CID 175386310

IUPAC4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline
SMILESCNc1c(-c2ccc(F)cc2)cc(F)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H14F3N/c1-23-19-17(12-2-6-14(20)7-3-12)10-16(22)11-18(19)13-4-8-15(21)9-5-13/h2-11,23H,1H3
InChIKeyFSERUKQNAWAACZ-UHFFFAOYSA-N
MW313.32 g/mol
LogP5.48
Rot. Bonds3

About 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline

4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline (PubChem CID 175386310) has the molecular formula C19H14F3N and a molecular weight of 313.32 g/mol. Its IUPAC name is 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline
PubChem CID175386310
Molecular FormulaC19H14F3N
Molecular Weight313.32 g/mol
Exact Mass313.11
IUPAC Name4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline
SMILESCNc1c(-c2ccc(F)cc2)cc(F)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H14F3N/c1-23-19-17(12-2-6-14(20)7-3-12)10-16(22)11-18(19)13-4-8-15(21)9-5-13/h2-11,23H,1H3
InChIKeyFSERUKQNAWAACZ-UHFFFAOYSA-N
XLogP5.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.32
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline
CID 175207275
2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline
CID 175391873
4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol
CID 174494101
3-(4-fluorophenyl)-1-N-methylbenzene-1,2-diamine
CID 143768417
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
1,2-bis(4-fluorophenyl)-4,5-dimethoxybenzene
CID 118497324
4,5-bis(4-fluorophenyl)benzene-1,2-diamine
CID 135324537
1-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-methylmethanamine
CID 81447035
1,3-bis(4-fluorophenyl)-2-methylbenzene
CID 58586629
N-methyl-2,6-diphenylaniline
CID 123873033
5,6-bis(4-fluorophenyl)-3-methyl-1H-pyridin-2-one
CID 118316459
5-fluoro-2-(4-fluorophenyl)aniline
CID 46312178

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline (CID 175386310) is 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline is CNc1c(-c2ccc(F)cc2)cc(F)cc1-c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline?
The InChIKey is FSERUKQNAWAACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N/c1-23-19-17(12-2-6-14(20)7-3-12)10-16(22)11-18(19)13-4-8-15(21)9-5-13/h2-11,23H,1H3.
What are the key properties of 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline?
4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline has a molecular weight of 313.32 g/mol, XLogP of 5.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 175386310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).