N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide

C12H22F3NO3 — CID 58672688

IUPACN-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCCCCCCCCC(O)CO)C(F)(F)F
InChIInChI=1S/C12H22F3NO3/c13-12(14,15)11(19)16-8-6-4-2-1-3-5-7-10(18)9-17/h10,17-18H,1-9H2,(H,16,19)
InChIKeySIMILTSQQZADRH-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.75
Rot. Bonds10

About N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide

N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide (PubChem CID 58672688) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide
PubChem CID58672688
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC NameN-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCCCCCCCCC(O)CO)C(F)(F)F
InChIInChI=1S/C12H22F3NO3/c13-12(14,15)11(19)16-8-6-4-2-1-3-5-7-10(18)9-17/h10,17-18H,1-9H2,(H,16,19)
InChIKeySIMILTSQQZADRH-UHFFFAOYSA-N
XLogP1.75
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide (CID 58672688) is N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide is O=C(NCCCCCCCCC(O)CO)C(F)(F)F.
What is the InChIKey of N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide?
The InChIKey is SIMILTSQQZADRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c13-12(14,15)11(19)16-8-6-4-2-1-3-5-7-10(18)9-17/h10,17-18H,1-9H2,(H,16,19).
What are the key properties of N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide?
N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide has a molecular weight of 285.31 g/mol, XLogP of 1.75, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dihydroxydecyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 58672688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).