2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide

C8H10F7NO2 — CID 3477037

IUPAC2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide
SMILESO=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2/c9-6(10,7(11,12)8(13,14)15)5(18)16-3-1-2-4-17/h17H,1-4H2,(H,16,18)
InChIKeyBCPCXPSYHDLDPB-UHFFFAOYSA-N
MW285.16 g/mol
LogP1.71
Rot. Bonds6

About 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide

2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide (PubChem CID 3477037) has the molecular formula C8H10F7NO2 and a molecular weight of 285.16 g/mol. Its IUPAC name is 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide
PubChem CID3477037
Molecular FormulaC8H10F7NO2
Molecular Weight285.16 g/mol
Exact Mass285.06
IUPAC Name2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide
SMILESO=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F7NO2/c9-6(10,7(11,12)8(13,14)15)5(18)16-3-1-2-4-17/h17H,1-4H2,(H,16,18)
InChIKeyBCPCXPSYHDLDPB-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.16
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-Hydroxyethyl)perfluorobutanamide
CID 4613030
2,2,3,3,4,4-Hexafluoro-pentanedioic acid bis-[(4-hydroxy-butyl)-amide]
CID 648321
N-(4-Hydroxybutyl)trifluoroacetamide
CID 3586224
Heptanamide, tridecafluoro-N-(4-hydroxybutyl)-
CID 543811
4-hydroxy-2-methyl-N-(2,2,2-trifluoroethyl)butanamide
CID 59168914
N-(2,2-difluoro-3-hydroxypropyl)-3-methylbutanamide
CID 104858123
3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide
CID 107300309
4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide
CID 107300412
N-(2,2,2-trifluoro-1-hydroxyethyl)butanamide
CID 122468682
4-hydroxy-N,N-bis[3-[(2,2,2-trifluoroacetyl)amino]propyl]butanamide
CID 137517767
2,2,2-trifluoro-N-[1-hydroxy-4-(4-hydroxybutylamino)butyl]acetamide
CID 139911897
4-aminobutan-1-ol;2,2,2-trifluoro-N-(4-hydroxybutyl)acetamide
CID 161372422

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide?
The IUPAC name of 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide (CID 3477037) is 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide.
What is the SMILES notation for 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide?
The canonical SMILES for 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide is O=C(NCCCCO)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide?
The InChIKey is BCPCXPSYHDLDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F7NO2/c9-6(10,7(11,12)8(13,14)15)5(18)16-3-1-2-4-17/h17H,1-4H2,(H,16,18).
What are the key properties of 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide?
2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide has a molecular weight of 285.16 g/mol, XLogP of 1.71, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,4-heptafluoro-N-(4-hydroxybutyl)butanamide is sourced from PubChem (CID 3477037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).