4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide

C8H13F4NO2 — CID 106295708

IUPAC4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide
SMILESCC(O)CCC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c1-5(14)2-3-6(15)13-4-8(11,12)7(9)10/h5,7,14H,2-4H2,1H3,(H,13,15)
InChIKeyJEBWNTPECXVGIJ-UHFFFAOYSA-N
MW231.19 g/mol
LogP1.16
Rot. Bonds6

About 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide

4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide (PubChem CID 106295708) has the molecular formula C8H13F4NO2 and a molecular weight of 231.19 g/mol. Its IUPAC name is 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide.

Molecular Properties

Compound Name4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide
PubChem CID106295708
Molecular FormulaC8H13F4NO2
Molecular Weight231.19 g/mol
Exact Mass231.09
IUPAC Name4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide
SMILESCC(O)CCC(=O)NCC(F)(F)C(F)F
InChIInChI=1S/C8H13F4NO2/c1-5(14)2-3-6(15)13-4-8(11,12)7(9)10/h5,7,14H,2-4H2,1H3,(H,13,15)
InChIKeyJEBWNTPECXVGIJ-UHFFFAOYSA-N
XLogP1.16
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.19
LogP ≤ 51.16
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

3-(ethylamino)-N-(2,2,3,3-tetrafluoropropyl)propanamide
CID 106291636
4-hydroxy-N-(2-hydroxy-2-methylpropyl)pentanamide
CID 79192407
2-propan-2-yloxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528341
2-sulfanyl-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106295758
2-methyl-3-oxo-3-(2,2,3,3-tetrafluoropropylamino)propanoic acid
CID 106295621
2-ethoxy-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 103528809
methyl N-(2,2,3,3-tetrafluoropropyl)carbamate
CID 103528765
2-(propylamino)-N-(2,2,3,3-tetrafluoropropyl)acetamide
CID 106291856
4-hydroxy-N-(2-hydroxy-2-methylpentyl)pentanamide
CID 106295714
5-(2,2,3,3-tetrafluoropropylcarbamoylamino)hexanoic acid
CID 106294846
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
(2S)-2-amino-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentanamide
CID 106291529

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The IUPAC name of 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide (CID 106295708) is 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide.
What is the SMILES notation for 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The canonical SMILES for 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide is CC(O)CCC(=O)NCC(F)(F)C(F)F.
What is the InChIKey of 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
The InChIKey is JEBWNTPECXVGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F4NO2/c1-5(14)2-3-6(15)13-4-8(11,12)7(9)10/h5,7,14H,2-4H2,1H3,(H,13,15).
What are the key properties of 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide?
4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide has a molecular weight of 231.19 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2,2,3,3-tetrafluoropropyl)pentanamide is sourced from PubChem (CID 106295708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).