N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide

C10H17F2NO3 — CID 106168577

IUPACN-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H17F2NO3/c1-2-8-7(3-4-16-8)9(15)13-5-10(11,12)6-14/h7-8,14H,2-6H2,1H3,(H,13,15)
InChIKeyWKVGBOQBBFUGJI-UHFFFAOYSA-N
MW237.25 g/mol
LogP0.55
Rot. Bonds5

About N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide

N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide (PubChem CID 106168577) has the molecular formula C10H17F2NO3 and a molecular weight of 237.25 g/mol. Its IUPAC name is N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide
PubChem CID106168577
Molecular FormulaC10H17F2NO3
Molecular Weight237.25 g/mol
Exact Mass237.12
IUPAC NameN-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide
SMILESCCC1OCCC1C(=O)NCC(F)(F)CO
InChIInChI=1S/C10H17F2NO3/c1-2-8-7(3-4-16-8)9(15)13-5-10(11,12)6-14/h7-8,14H,2-6H2,1H3,(H,13,15)
InChIKeyWKVGBOQBBFUGJI-UHFFFAOYSA-N
XLogP0.55
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide?
The IUPAC name of N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide (CID 106168577) is N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide.
What is the SMILES notation for N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide?
The canonical SMILES for N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide is CCC1OCCC1C(=O)NCC(F)(F)CO.
What is the InChIKey of N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide?
The InChIKey is WKVGBOQBBFUGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO3/c1-2-8-7(3-4-16-8)9(15)13-5-10(11,12)6-14/h7-8,14H,2-6H2,1H3,(H,13,15).
What are the key properties of N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide?
N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide has a molecular weight of 237.25 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoro-3-hydroxypropyl)-2-ethyloxolane-3-carboxamide is sourced from PubChem (CID 106168577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).