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

C19H14F3N — CID 175207275

IUPAC2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline
SMILESCNc1c(F)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H14F3N/c1-23-19-17(13-4-8-16(21)9-5-13)10-14(11-18(19)22)12-2-6-15(20)7-3-12/h2-11,23H,1H3
InChIKeyICYAUHVLSBBFPJ-UHFFFAOYSA-N
MW313.32 g/mol
LogP5.48
Rot. Bonds3

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

2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline (PubChem CID 175207275) has the molecular formula C19H14F3N and a molecular weight of 313.32 g/mol. Its IUPAC name is 2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline.

Molecular Properties

Compound Name2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline
PubChem CID175207275
Molecular FormulaC19H14F3N
Molecular Weight313.32 g/mol
Exact Mass313.11
IUPAC Name2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline
SMILESCNc1c(F)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1
InChIInChI=1S/C19H14F3N/c1-23-19-17(13-4-8-16(21)9-5-13)10-14(11-18(19)22)12-2-6-15(20)7-3-12/h2-11,23H,1H3
InChIKeyICYAUHVLSBBFPJ-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

4-fluoro-2,6-bis(4-fluorophenyl)-N-methylaniline
CID 175386310
2,4-bis(4-fluorophenyl)-N-methyl-6-propan-2-ylaniline
CID 175391873
1,2,3-trifluoro-5-(4-fluorophenyl)benzene
CID 12982677
4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol
CID 174494101
1,2,3-trifluoro-5-[4-[4-(3,4,5-trifluorophenyl)phenyl]phenyl]benzene
CID 154500578
1-fluoro-4-[4-[4-[4-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 58320925
4-(4-chlorophenyl)-2-fluoro-1-(4-fluorophenyl)benzene
CID 176837829
1-[[3,5-bis(4-fluorophenyl)phenyl]methyl]-3,5-bis(4-fluorophenyl)benzene;ethane
CID 143925315
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
1-[3-fluoro-4-(4-fluorophenyl)phenyl]-N-methylmethanamine
CID 81447035
2-fluoro-1-(4-fluorophenyl)-4-methoxybenzene
CID 46312221
11,31,45,55-tetrafluoroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 140924255

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline?
The IUPAC name of 2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline (CID 175207275) is 2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline.
What is the SMILES notation for 2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline?
The canonical SMILES for 2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline is CNc1c(F)cc(-c2ccc(F)cc2)cc1-c1ccc(F)cc1.
What is the InChIKey of 2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline?
The InChIKey is ICYAUHVLSBBFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N/c1-23-19-17(13-4-8-16(21)9-5-13)10-14(11-18(19)22)12-2-6-15(20)7-3-12/h2-11,23H,1H3.
What are the key properties of 2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline?
2-fluoro-4,6-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 2-fluoro-4,6-bis(4-fluorophenyl)-N-methylaniline is sourced from PubChem (CID 175207275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).