N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

C13H6F13NO3 — CID 118215209

IUPACN-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESO=C(Nc1cc(O)ccc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H6F13NO3/c14-8(15,7(30)27-5-3-4(28)1-2-6(5)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-3,28-29H,(H,27,30)
InChIKeyLRKYYCJWKFOXEJ-UHFFFAOYSA-N
MW471.17 g/mol
LogP4.78
Rot. Bonds6

About N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide

N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (PubChem CID 118215209) has the molecular formula C13H6F13NO3 and a molecular weight of 471.17 g/mol. Its IUPAC name is N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.

Molecular Properties

Compound NameN-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
PubChem CID118215209
Molecular FormulaC13H6F13NO3
Molecular Weight471.17 g/mol
Exact Mass471.01
IUPAC NameN-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
SMILESO=C(Nc1cc(O)ccc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H6F13NO3/c14-8(15,7(30)27-5-3-4(28)1-2-6(5)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-3,28-29H,(H,27,30)
InChIKeyLRKYYCJWKFOXEJ-UHFFFAOYSA-N
XLogP4.78
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.17
LogP ≤ 54.78
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-hydroxyphenyl)heptanamide
CID 4292897
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]pentanamide
CID 4077005
2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoro-N-(2-fluorophenyl)heptanamide
CID 3121130
2,2,3,3,4,4,5,5,5-nonafluoro-N-[2-methyl-4-[3-methyl-4-(2,2,3,3,4,4,5,5,5-nonafluoropentanoylamino)phenyl]phenyl]pentanamide
CID 4152473
2-(2,5-dihydroxyanilino)-2-oxoacetic acid
CID 154478317
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-phenylnonanamide
CID 3421010
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N-(2,4,6-trichlorophenyl)nonanamide
CID 2748510
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-N'-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoyl)nonanehydrazide
CID 3089752
N-(2,4-dinitrophenyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanamide
CID 2748511
N-(2,4-dimethoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 19177842
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 5123869
N-(5-chloro-2-methoxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide
CID 4165348

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The IUPAC name of N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide (CID 118215209) is N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide.
What is the SMILES notation for N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The canonical SMILES for N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is O=C(Nc1cc(O)ccc1O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
The InChIKey is LRKYYCJWKFOXEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F13NO3/c14-8(15,7(30)27-5-3-4(28)1-2-6(5)29)9(16,17)10(18,19)11(20,21)12(22,23)13(24,25)26/h1-3,28-29H,(H,27,30).
What are the key properties of N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide?
N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide has a molecular weight of 471.17 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dihydroxyphenyl)-2,2,3,3,4,4,5,5,6,6,7,7,7-tridecafluoroheptanamide is sourced from PubChem (CID 118215209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).