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

C5H6F5NO2 — CID 104862762

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC(F)(F)CO)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c6-4(7,2-12)1-11-3(13)5(8,9)10/h12H,1-2H2,(H,11,13)
InChIKeyCWUAQOHXHSYSTE-UHFFFAOYSA-N
MW207.10 g/mol
LogP0.29
Rot. Bonds3

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

N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide (PubChem CID 104862762) has the molecular formula C5H6F5NO2 and a molecular weight of 207.10 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide
PubChem CID104862762
Molecular FormulaC5H6F5NO2
Molecular Weight207.10 g/mol
Exact Mass207.03
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide
SMILESO=C(NCC(F)(F)CO)C(F)(F)F
InChIInChI=1S/C5H6F5NO2/c6-4(7,2-12)1-11-3(13)5(8,9)10/h12H,1-2H2,(H,11,13)
InChIKeyCWUAQOHXHSYSTE-UHFFFAOYSA-N
XLogP0.29
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.10
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide (CID 104862762) is N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide is O=C(NCC(F)(F)CO)C(F)(F)F.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide?
The InChIKey is CWUAQOHXHSYSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5NO2/c6-4(7,2-12)1-11-3(13)5(8,9)10/h12H,1-2H2,(H,11,13).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide?
N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide has a molecular weight of 207.10 g/mol, XLogP of 0.29, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 104862762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).