2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline

C14H10F5N — CID 107643878

IUPAC2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
SMILESCc1cc(CNc2c(F)c(F)cc(F)c2F)ccc1F
InChIInChI=1S/C14H10F5N/c1-7-4-8(2-3-9(7)15)6-20-14-12(18)10(16)5-11(17)13(14)19/h2-5,20H,6H2,1H3
InChIKeySPIQQELKTRQSPI-UHFFFAOYSA-N
MW287.23 g/mol
LogP4.30
Rot. Bonds3

About 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline

2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline (PubChem CID 107643878) has the molecular formula C14H10F5N and a molecular weight of 287.23 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
PubChem CID107643878
Molecular FormulaC14H10F5N
Molecular Weight287.23 g/mol
Exact Mass287.07
IUPAC Name2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
SMILESCc1cc(CNc2c(F)c(F)cc(F)c2F)ccc1F
InChIInChI=1S/C14H10F5N/c1-7-4-8(2-3-9(7)15)6-20-14-12(18)10(16)5-11(17)13(14)19/h2-5,20H,6H2,1H3
InChIKeySPIQQELKTRQSPI-UHFFFAOYSA-N
XLogP4.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,6-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62121783
2,3,5,6-tetrafluoro-N-[(4-iodophenyl)methyl]aniline
CID 107644269
N-[(4-fluoro-3-methylphenyl)methyl]-3,5-dimethylaniline
CID 55040391
2,5-difluoro-N-[(4-fluoro-3-methylphenyl)methyl]-4-methylaniline
CID 103585043
N-[[4-(difluoromethyl)phenyl]methyl]-2,3,5,6-tetrafluoroaniline
CID 107643770
N-[(4-fluoro-3-methylphenyl)methyl]-3-methylpentan-3-amine
CID 115630753
4-chloro-2-fluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline
CID 62120578
N-[(3,4-difluorophenyl)methyl]-1-(4-fluoro-3-methylphenyl)methanamine
CID 55024563
4-fluoro-3-methyl-N-[(3,4,5-trifluorophenyl)methyl]aniline
CID 63050571
2-bromo-4-[(2,3,5,6-tetrafluoroanilino)methyl]phenol
CID 107643664
N-[(3-bromo-4-fluorophenyl)methyl]-2,4,6-trimethylaniline
CID 63448598
N-[(4-fluoro-3-methylphenyl)methyl]-4-iodo-2-methylaniline
CID 63440747

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline?
The IUPAC name of 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline (CID 107643878) is 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline.
What is the SMILES notation for 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline?
The canonical SMILES for 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline is Cc1cc(CNc2c(F)c(F)cc(F)c2F)ccc1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline?
The InChIKey is SPIQQELKTRQSPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5N/c1-7-4-8(2-3-9(7)15)6-20-14-12(18)10(16)5-11(17)13(14)19/h2-5,20H,6H2,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline?
2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline has a molecular weight of 287.23 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-N-[(4-fluoro-3-methylphenyl)methyl]aniline is sourced from PubChem (CID 107643878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).