5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol

C14H13ClFNO2 — CID 107705381

IUPAC5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(F)c(Cl)c1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H13ClFNO2/c1-8(9-4-11(18)7-12(19)5-9)17-10-2-3-14(16)13(15)6-10/h2-8,17-19H,1H3
InChIKeyFDFBXDNKNGVRRS-UHFFFAOYSA-N
MW281.71 g/mol
LogP4.06
Rot. Bonds3

About 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol

5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol (PubChem CID 107705381) has the molecular formula C14H13ClFNO2 and a molecular weight of 281.71 g/mol. Its IUPAC name is 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
PubChem CID107705381
Molecular FormulaC14H13ClFNO2
Molecular Weight281.71 g/mol
Exact Mass281.06
IUPAC Name5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1ccc(F)c(Cl)c1)c1cc(O)cc(O)c1
InChIInChI=1S/C14H13ClFNO2/c1-8(9-4-11(18)7-12(19)5-9)17-10-2-3-14(16)13(15)6-10/h2-8,17-19H,1H3
InChIKeyFDFBXDNKNGVRRS-UHFFFAOYSA-N
XLogP4.06
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[1-(3,4-dichloroanilino)ethyl]benzene-1,3-diol
CID 107704974
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methylphenol
CID 107700001
3-chloro-N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-methoxyaniline
CID 43100313
5-[1-(3-chloro-4-fluorophenyl)ethylamino]-2-methoxyphenol
CID 43743616
3,4-dichloro-N-[1-(4-chlorophenyl)ethyl]aniline
CID 43096908
4-[1-(3-chloro-4-fluoroanilino)propyl]phenol
CID 43119212
N-[1-(4-butylphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43119123
3,4-dichloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]aniline
CID 83069760
4-[1-(3-chloro-4-fluorophenyl)ethylamino]benzoic acid
CID 43321605
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3,4-dimethoxyaniline
CID 43108298
N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-chloro-4-fluoroaniline
CID 43772388
N-[1-(3-chloro-4-fluorophenyl)ethyl]-4-ethylaniline
CID 43102207

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol (CID 107705381) is 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol is CC(Nc1ccc(F)c(Cl)c1)c1cc(O)cc(O)c1.
What is the InChIKey of 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol?
The InChIKey is FDFBXDNKNGVRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClFNO2/c1-8(9-4-11(18)7-12(19)5-9)17-10-2-3-14(16)13(15)6-10/h2-8,17-19H,1H3.
What are the key properties of 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol?
5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol has a molecular weight of 281.71 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-chloro-4-fluoroanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107705381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).