N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide

C12H9F8NO2 — CID 3099801

IUPACN-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide
SMILESO=C(NC(O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H9F8NO2/c13-8(14)10(15,16)12(19,20)11(17,18)9(23)21-7(22)6-4-2-1-3-5-6/h1-5,8-9,23H,(H,21,22)
InChIKeyCYRKHKSTQZXEFE-UHFFFAOYSA-N
MW351.19 g/mol
LogP2.91
Rot. Bonds6

About N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide

N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide (PubChem CID 3099801) has the molecular formula C12H9F8NO2 and a molecular weight of 351.19 g/mol. Its IUPAC name is N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide.

Molecular Properties

Compound NameN-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide
PubChem CID3099801
Molecular FormulaC12H9F8NO2
Molecular Weight351.19 g/mol
Exact Mass351.05
IUPAC NameN-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide
SMILESO=C(NC(O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1
InChIInChI=1S/C12H9F8NO2/c13-8(14)10(15,16)12(19,20)11(17,18)9(23)21-7(22)6-4-2-1-3-5-6/h1-5,8-9,23H,(H,21,22)
InChIKeyCYRKHKSTQZXEFE-UHFFFAOYSA-N
XLogP2.91
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

methyl N-[(1R)-2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl]carbamate
CID 2303347
ethyl (3S)-3-benzamido-2,2-difluoro-3-hydroxypropanoate
CID 2303395
3-benzamido-4,4,4-trifluorobutanoic acid
CID 3487458
N-[(2R)-1,1,1-trifluoro-3,3-dimethylbutan-2-yl]benzamide
CID 101120746
N-(1-fluoroprop-2-enyl)benzamide
CID 69227826
2,2-dibenzamidoacetic acid
CID 12521150
Lithium benzoate, 99%
CID 57451198
methyl 3-benzamido-4,4,4-trifluoro-2-hydroxybutanoate
CID 12042653
(2S,5R)-2-benzamido-6,6,6-trifluoro-5-hydroxyhexanoic acid
CID 25323944
3,3,4,4,5,5,5-heptafluoro-2-hydroxy-1-phenylpentan-1-one
CID 101051486
N-[1-oxo-1-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]propan-2-yl]benzamide
CID 55586100
N-[(1R,2S)-1-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-2-yl]benzamide
CID 135065542

Frequently Asked Questions

What is the IUPAC name of N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide?
The IUPAC name of N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide (CID 3099801) is N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide.
What is the SMILES notation for N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide?
The canonical SMILES for N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide is O=C(NC(O)C(F)(F)C(F)(F)C(F)(F)C(F)F)c1ccccc1.
What is the InChIKey of N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide?
The InChIKey is CYRKHKSTQZXEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F8NO2/c13-8(14)10(15,16)12(19,20)11(17,18)9(23)21-7(22)6-4-2-1-3-5-6/h1-5,8-9,23H,(H,21,22).
What are the key properties of N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide?
N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide has a molecular weight of 351.19 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,4,4,5,5-octafluoro-1-hydroxypentyl)benzamide is sourced from PubChem (CID 3099801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).