2-(4-fluoroanilino)naphthalene-1,4-diol

C16H12FNO2 — CID 132604540

IUPAC2-(4-fluoroanilino)naphthalene-1,4-diol
SMILESOc1cc(Nc2ccc(F)cc2)c(O)c2ccccc12
InChIInChI=1S/C16H12FNO2/c17-10-5-7-11(8-6-10)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18-20H
InChIKeyWCVANDMHQADCHP-UHFFFAOYSA-N
MW269.28 g/mol
LogP4.13
Rot. Bonds2

About 2-(4-fluoroanilino)naphthalene-1,4-diol

2-(4-fluoroanilino)naphthalene-1,4-diol (PubChem CID 132604540) has the molecular formula C16H12FNO2 and a molecular weight of 269.28 g/mol. Its IUPAC name is 2-(4-fluoroanilino)naphthalene-1,4-diol.

Molecular Properties

Compound Name2-(4-fluoroanilino)naphthalene-1,4-diol
PubChem CID132604540
Molecular FormulaC16H12FNO2
Molecular Weight269.28 g/mol
Exact Mass269.09
IUPAC Name2-(4-fluoroanilino)naphthalene-1,4-diol
SMILESOc1cc(Nc2ccc(F)cc2)c(O)c2ccccc12
InChIInChI=1S/C16H12FNO2/c17-10-5-7-11(8-6-10)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18-20H
InChIKeyWCVANDMHQADCHP-UHFFFAOYSA-N
XLogP4.13
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.28
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-fluoroanilino)phenol
CID 82537401
2-(2-phenylhydrazinyl)naphthalene-1,4-diol
CID 10084265
4-[[2-(4-fluorophenyl)quinolin-4-yl]amino]phenol
CID 10882081
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
1-N,3-N,5-N-tris(4-fluorophenyl)benzene-1,3,5-triamine
CID 14762541
6-[4-(dimethylamino)anilino]quinoline-5,8-diol
CID 135453963
2-[4-(4-fluoroanilino)quinolin-2-yl]acetic acid
CID 110435469
2-(2,5-difluoroanilino)phenol
CID 82537391
methyl 4-(4-fluoroanilino)quinoline-2-carboxylate
CID 53113237
4-(4-fluoroanilino)-8-methylchromen-2-one
CID 10945473
2-(2,2-dibromoethenyl)-N-(4-fluorophenyl)aniline
CID 11675116
3-(4-fluoroanilino)cyclobut-3-ene-1,2-dione
CID 154453029

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoroanilino)naphthalene-1,4-diol?
The IUPAC name of 2-(4-fluoroanilino)naphthalene-1,4-diol (CID 132604540) is 2-(4-fluoroanilino)naphthalene-1,4-diol.
What is the SMILES notation for 2-(4-fluoroanilino)naphthalene-1,4-diol?
The canonical SMILES for 2-(4-fluoroanilino)naphthalene-1,4-diol is Oc1cc(Nc2ccc(F)cc2)c(O)c2ccccc12.
What is the InChIKey of 2-(4-fluoroanilino)naphthalene-1,4-diol?
The InChIKey is WCVANDMHQADCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FNO2/c17-10-5-7-11(8-6-10)18-14-9-15(19)12-3-1-2-4-13(12)16(14)20/h1-9,18-20H.
What are the key properties of 2-(4-fluoroanilino)naphthalene-1,4-diol?
2-(4-fluoroanilino)naphthalene-1,4-diol has a molecular weight of 269.28 g/mol, XLogP of 4.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoroanilino)naphthalene-1,4-diol is sourced from PubChem (CID 132604540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).