N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide

C6H7F6NO2 — CID 103770162

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC(O)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C6H7F6NO2/c7-3(8)2(14)1-13-5(15)6(11,12)4(9)10/h2-4,14H,1H2,(H,13,15)
InChIKeyBDQNZTSILCBJTL-UHFFFAOYSA-N
MW239.12 g/mol
LogP0.63
Rot. Bonds5

About N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide

N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide (PubChem CID 103770162) has the molecular formula C6H7F6NO2 and a molecular weight of 239.12 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
PubChem CID103770162
Molecular FormulaC6H7F6NO2
Molecular Weight239.12 g/mol
Exact Mass239.04
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide
SMILESO=C(NCC(O)C(F)F)C(F)(F)C(F)F
InChIInChI=1S/C6H7F6NO2/c7-3(8)2(14)1-13-5(15)6(11,12)4(9)10/h2-4,14H,1H2,(H,13,15)
InChIKeyBDQNZTSILCBJTL-UHFFFAOYSA-N
XLogP0.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-3-(2,2,3,3-tetrafluoropropanoylamino)propanoate
CID 103958229
N-(3,3-difluoro-2-hydroxypropyl)-3,3,3-trifluoropropanamide
CID 103770028
2,2,3,3-tetrafluoro-N-(3,3,3-trifluoropropyl)propanamide
CID 103734095
1-(3,3-difluoro-2-hydroxypropyl)-3-methylurea
CID 103734263
N-(3,3-difluoro-2-hydroxypropyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 103770032
methyl N-(3,3-difluoro-2-hydroxypropyl)carbamate
CID 103769673
2,2,3,3-tetrafluoro-N-(4-hydroxybutyl)propanamide
CID 107168274
N-(2-amino-2-methylpropyl)-2,2,3,3-tetrafluoropropanamide;hydrochloride
CID 119627588
N-[2-(dimethylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
CID 103732179
1-(3,3-difluoro-2-hydroxypropyl)-3-ethylurea
CID 103734264
2,2,2-trifluoro-N-[(2R,3S,4R)-2,3,4-trihydroxy-5-oxopentyl]acetamide
CID 154291457
N-[2-(tert-butylamino)-2-oxoethyl]-2,2,3,3-tetrafluoropropanamide
CID 113250804

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide (CID 103770162) is N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide is O=C(NCC(O)C(F)F)C(F)(F)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide?
The InChIKey is BDQNZTSILCBJTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F6NO2/c7-3(8)2(14)1-13-5(15)6(11,12)4(9)10/h2-4,14H,1H2,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide?
N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide has a molecular weight of 239.12 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2,2,3,3-tetrafluoropropanamide is sourced from PubChem (CID 103770162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).