2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide

C9H16F2N2O2 — CID 103810631

IUPAC2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESNC1(CC(=O)NCC(O)C(F)F)CCC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)6(14)5-13-7(15)4-9(12)2-1-3-9/h6,8,14H,1-5,12H2,(H,13,15)
InChIKeyYJBVWYUIJWLJHU-UHFFFAOYSA-N
MW222.23 g/mol
LogP0.00
Rot. Bonds5

About 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide

2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 103810631) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID103810631
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESNC1(CC(=O)NCC(O)C(F)F)CCC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)6(14)5-13-7(15)4-9(12)2-1-3-9/h6,8,14H,1-5,12H2,(H,13,15)
InChIKeyYJBVWYUIJWLJHU-UHFFFAOYSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-tert-butyl-2-[1-(ethylamino)-3-fluorocyclobutyl]-2-hydroxyacetamide
CID 91448392
2-(3,3-difluorocyclobutyl)-N-(2-hydroxyethyl)acetamide
CID 175397048
2-(1-aminocyclobutyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 79853667
2-(1-aminocyclobutyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79853963
2-cyclobutyl-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726247
N-[3-oxo-3-[(3,3,3-trifluoro-2-hydroxypropyl)amino]propyl]cyclopentanecarboxamide
CID 103726417
N-[3-[(3,3-difluoro-2-hydroxypropyl)amino]-3-oxopropyl]cyclopentanecarboxamide
CID 103770516
2-cyclobutyl-N-(3,3-difluoro-2-hydroxypropyl)acetamide
CID 103770533
1-amino-N-(3,3-difluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
CID 103796495
2-amino-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
CID 103809649
1-(aminomethyl)-N-(3,3,3-trifluoro-2-hydroxypropyl)cyclopentane-1-carboxamide
CID 103809657
4-amino-4-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pentanamide
CID 103809668

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 103810631) is 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is NC1(CC(=O)NCC(O)C(F)F)CCC1.
What is the InChIKey of 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is YJBVWYUIJWLJHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-8(11)6(14)5-13-7(15)4-9(12)2-1-3-9/h6,8,14H,1-5,12H2,(H,13,15).
What are the key properties of 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide has a molecular weight of 222.23 g/mol, XLogP of 0.00, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclobutyl)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103810631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).