N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide

C10H17F2NO3 — CID 103769913

IUPACN-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCC(O)C(F)F
InChIInChI=1S/C10H17F2NO3/c11-10(12)8(14)6-13-9(15)4-3-7-2-1-5-16-7/h7-8,10,14H,1-6H2,(H,13,15)
InChIKeyRQFBXPHZLPFJJB-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.69
Rot. Bonds6

About N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide

N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide (PubChem CID 103769913) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide
PubChem CID103769913
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)NCC(O)C(F)F
InChIInChI=1S/C10H17F2NO3/c11-10(12)8(14)6-13-9(15)4-3-7-2-1-5-16-7/h7-8,10,14H,1-6H2,(H,13,15)
InChIKeyRQFBXPHZLPFJJB-UHFFFAOYSA-N
XLogP0.69
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide (CID 103769913) is N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide?
The InChIKey is RQFBXPHZLPFJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c11-10(12)8(14)6-13-9(15)4-3-7-2-1-5-16-7/h7-8,10,14H,1-6H2,(H,13,15).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide?
N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide has a molecular weight of 237.25 g/mol, XLogP of 0.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 103769913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).