2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide

C8H14F2N2O2 — CID 103843951

IUPAC2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CNC1CC1)NCC(O)C(F)F
InChIInChI=1S/C8H14F2N2O2/c9-8(10)6(13)3-12-7(14)4-11-5-1-2-5/h5-6,8,11,13H,1-4H2,(H,12,14)
InChIKeyHKSMSFCRZVUDNA-UHFFFAOYSA-N
MW208.21 g/mol
LogP-0.52
Rot. Bonds6

About 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide

2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (PubChem CID 103843951) has the molecular formula C8H14F2N2O2 and a molecular weight of 208.21 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
PubChem CID103843951
Molecular FormulaC8H14F2N2O2
Molecular Weight208.21 g/mol
Exact Mass208.10
IUPAC Name2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide
SMILESO=C(CNC1CC1)NCC(O)C(F)F
InChIInChI=1S/C8H14F2N2O2/c9-8(10)6(13)3-12-7(14)4-11-5-1-2-5/h5-6,8,11,13H,1-4H2,(H,12,14)
InChIKeyHKSMSFCRZVUDNA-UHFFFAOYSA-N
XLogP-0.52
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide (CID 103843951) is 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is O=C(CNC1CC1)NCC(O)C(F)F.
What is the InChIKey of 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
The InChIKey is HKSMSFCRZVUDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O2/c9-8(10)6(13)3-12-7(14)4-11-5-1-2-5/h5-6,8,11,13H,1-4H2,(H,12,14).
What are the key properties of 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide?
2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide has a molecular weight of 208.21 g/mol, XLogP of -0.52, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-(3,3-difluoro-2-hydroxypropyl)acetamide is sourced from PubChem (CID 103843951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).