3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol

C14H11Cl3FNO — CID 107714699

IUPAC3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
SMILESCC(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(O)cc1F
InChIInChI=1S/C14H11Cl3FNO/c1-7(10-3-2-9(20)6-13(10)18)19-14-11(16)4-8(15)5-12(14)17/h2-7,19-20H,1H3
InChIKeySDUWUBUFSZSWKV-UHFFFAOYSA-N
MW334.61 g/mol
LogP5.66
Rot. Bonds3

About 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol

3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol (PubChem CID 107714699) has the molecular formula C14H11Cl3FNO and a molecular weight of 334.61 g/mol. Its IUPAC name is 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol.

Molecular Properties

Compound Name3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
PubChem CID107714699
Molecular FormulaC14H11Cl3FNO
Molecular Weight334.61 g/mol
Exact Mass332.99
IUPAC Name3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol
SMILESCC(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(O)cc1F
InChIInChI=1S/C14H11Cl3FNO/c1-7(10-3-2-9(20)6-13(10)18)19-14-11(16)4-8(15)5-12(14)17/h2-7,19-20H,1H3
InChIKeySDUWUBUFSZSWKV-UHFFFAOYSA-N
XLogP5.66
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.61
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(3,5-dichloroanilino)ethyl]-3-fluorophenol
CID 107714542
4-[1-(5-chloro-2-methylanilino)ethyl]-3-fluorophenol
CID 107714478
4-[1-(3,4-dichloroanilino)ethyl]-3-fluorophenol
CID 107714548
2,4,6-trichloro-N-[1-(2-chloro-4-fluorophenyl)ethyl]aniline
CID 43773688
3-fluoro-4-[1-(2,4,5-trifluoroanilino)ethyl]phenol
CID 107715105
4-[1-[[(1R)-1-(4-chlorophenyl)ethyl]amino]ethyl]-3-fluorophenol
CID 107715286
4-[1-[(5-chloro-1,3-benzothiazol-4-yl)amino]ethyl]-3-fluorophenol
CID 107714756
2-[1-(5-chloro-2-fluoroanilino)ethyl]benzene-1,4-diol
CID 43438338
2-[1-(2,4,6-trichloroanilino)ethyl]benzene-1,3-diol
CID 107710532
2-[1-(2,6-dichloro-4-fluoroanilino)ethyl]-4-fluorophenol
CID 83077307
(1R)-1-(4-chloro-2-fluorophenyl)-N-methylethanamine
CID 55276652
4-[1-(2,3-dimethylanilino)ethyl]-3-fluorophenol
CID 107714598

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol?
The IUPAC name of 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol (CID 107714699) is 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol.
What is the SMILES notation for 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol?
The canonical SMILES for 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol is CC(Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(O)cc1F.
What is the InChIKey of 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol?
The InChIKey is SDUWUBUFSZSWKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl3FNO/c1-7(10-3-2-9(20)6-13(10)18)19-14-11(16)4-8(15)5-12(14)17/h2-7,19-20H,1H3.
What are the key properties of 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol?
3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol has a molecular weight of 334.61 g/mol, XLogP of 5.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-[1-(2,4,6-trichloroanilino)ethyl]phenol is sourced from PubChem (CID 107714699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).