N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide

C10H17F2NO2 — CID 167018218

IUPACN-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCC1(O)CC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(2)8(14)13-4-3-9(15)5-10(11,12)6-9/h7,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyPYANUGGMAYBEKS-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.31
Rot. Bonds4

About N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide

N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide (PubChem CID 167018218) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide
PubChem CID167018218
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC NameN-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide
SMILESCC(C)C(=O)NCCC1(O)CC(F)(F)C1
InChIInChI=1S/C10H17F2NO2/c1-7(2)8(14)13-4-3-9(15)5-10(11,12)6-9/h7,15H,3-6H2,1-2H3,(H,13,14)
InChIKeyPYANUGGMAYBEKS-UHFFFAOYSA-N
XLogP1.31
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide?
The IUPAC name of N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide (CID 167018218) is N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide?
The canonical SMILES for N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide is CC(C)C(=O)NCCC1(O)CC(F)(F)C1.
What is the InChIKey of N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide?
The InChIKey is PYANUGGMAYBEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-7(2)8(14)13-4-3-9(15)5-10(11,12)6-9/h7,15H,3-6H2,1-2H3,(H,13,14).
What are the key properties of N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide?
N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide has a molecular weight of 221.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3-difluoro-1-hydroxycyclobutyl)ethyl]-2-methylpropanamide is sourced from PubChem (CID 167018218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).