3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide

C8H14F3NO2 — CID 107300309

IUPAC3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide
SMILESCC(O)CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(13)3-2-4-12-7(14)5-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyTXFNXTVPEPXANA-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.22
Rot. Bonds5

About 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide

3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide (PubChem CID 107300309) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide
PubChem CID107300309
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide
SMILESCC(O)CCCNC(=O)CC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6(13)3-2-4-12-7(14)5-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14)
InChIKeyTXFNXTVPEPXANA-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(6-Hydroxyhexyl)trifluoroacetamide
CID 3627607
N-(4-Hydroxybutyl)trifluoroacetamide
CID 3586224
2-hydroxy-N-(2,2,2-trifluoroethyl)pentanamide
CID 57029241
2,2,2-trifluoro-N-(3-hydroxybutyl)acetamide
CID 64459133
2,2,2-trifluoro-N-(5-hydroxypentan-2-yl)acetamide
CID 80291520
(R)-4-(trifluoroacetylamino)-1-pentanol
CID 86661756
2,2,2-trifluoro-N-(1-hydroxyhexyl)acetamide
CID 87145885
2,2,2-trifluoro-N-(1-hydroxypentyl)acetamide
CID 87630277
2,2,2-trifluoro-N-[(3S,4S)-1-[formyl(methyl)amino]-4-hydroxypentan-3-yl]acetamide
CID 89484159
4,4,4-trifluoro-N-(4-hydroxypentyl)butanamide
CID 107300412
2,2,2-trifluoro-N-(3-hydroxypentyl)acetamide
CID 115703797
N-(6,6,6-trifluoro-1-hydroxyhexyl)acetamide
CID 140655088

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide (CID 107300309) is 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide is CC(O)CCCNC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide?
The InChIKey is TXFNXTVPEPXANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6(13)3-2-4-12-7(14)5-8(9,10)11/h6,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide?
3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide has a molecular weight of 213.20 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(4-hydroxypentyl)propanamide is sourced from PubChem (CID 107300309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).