2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol

C16H14F2N2O2 — CID 54180387

IUPAC2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol
SMILES[H]/N=C(Cc1cccc(F)c1O)\C(Cc1cccc(F)c1O)=N/[H]
InChIInChI=1S/C16H14F2N2O2/c17-11-5-1-3-9(15(11)21)7-13(19)14(20)8-10-4-2-6-12(18)16(10)22/h1-6,19-22H,7-8H2/b19-13-,20-14-
InChIKeyPBJFHLKVZLJINS-AXPXABNXSA-N
MW304.30 g/mol
LogP3.20
Rot. Bonds5

About 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol

2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol (PubChem CID 54180387) has the molecular formula C16H14F2N2O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol.

Molecular Properties

Compound Name2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol
PubChem CID54180387
Molecular FormulaC16H14F2N2O2
Molecular Weight304.30 g/mol
Exact Mass304.10
IUPAC Name2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol
SMILES[H]/N=C(Cc1cccc(F)c1O)\C(Cc1cccc(F)c1O)=N/[H]
InChIInChI=1S/C16H14F2N2O2/c17-11-5-1-3-9(15(11)21)7-13(19)14(20)8-10-4-2-6-12(18)16(10)22/h1-6,19-22H,7-8H2/b19-13-,20-14-
InChIKeyPBJFHLKVZLJINS-AXPXABNXSA-N
XLogP3.20
TPSA88.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 53.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(Iminophenylmethyl)phenol
CID 135790003
2-[(1E)-1-{(2Z)-[1-(2-hydroxyphenyl)ethylidene]hydrazinylidene}ethyl]phenol
CID 135650519
4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenol
CID 136180342
4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-N-hydroxy-C-nonylcarbonimidoyl]phenol
CID 145987634
2-[C-ethyl-N-[1-(2-hydroxyphenyl)propylideneamino]carbonimidoyl]phenol
CID 263922
2-[(E)-C-butyl-N-hydroxycarbonimidoyl]-4-(3-fluoro-4-hydroxyphenyl)phenol
CID 145984890
4-(3-fluoro-4-hydroxyphenyl)-2-[(E)-C-heptyl-N-hydroxycarbonimidoyl]phenol
CID 145993082
(6E)-6-[1-[2-[(1E)-1-(6-oxocyclohexa-2,4-dien-1-ylidene)ethyl]hydrazinyl]ethylidene]cyclohexa-2,4-dien-1-one
CID 135473195
4-[2-[5-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
CID 24881679
2-[2-(5-Benzyl-4,5-dihydro-1,2-oxazol-3-yl)ethyl]phenol
CID 24881747
2-[2-[5-[(4-Fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-3-yl]ethyl]phenol
CID 24881748
3-[2-(2-Hydroxy-phenyl)-ethyl]-5-methyl-5-phenyl-4,5-dihydro-isoxazole (enantiomeric mix)
CID 42613643

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol?
The IUPAC name of 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol (CID 54180387) is 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol.
What is the SMILES notation for 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol?
The canonical SMILES for 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol is [H]/N=C(Cc1cccc(F)c1O)\C(Cc1cccc(F)c1O)=N/[H].
What is the InChIKey of 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol?
The InChIKey is PBJFHLKVZLJINS-AXPXABNXSA-N. The full InChI is InChI=1S/C16H14F2N2O2/c17-11-5-1-3-9(15(11)21)7-13(19)14(20)8-10-4-2-6-12(18)16(10)22/h1-6,19-22H,7-8H2/b19-13-,20-14-.
What are the key properties of 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol?
2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol has a molecular weight of 304.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[4-(3-fluoro-2-hydroxyphenyl)-2,3-diiminobutyl]phenol is sourced from PubChem (CID 54180387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).