N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide

C9H18F2N2O2 — CID 145401045

IUPACN-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
SMILESCCC(=O)NCCCOCC(F)(F)CN
InChIInChI=1S/C9H18F2N2O2/c1-2-8(14)13-4-3-5-15-7-9(10,11)6-12/h2-7,12H2,1H3,(H,13,14)
InChIKeyDHFCOKTUQRQUJZ-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.51
Rot. Bonds8

About N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide

N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide (PubChem CID 145401045) has the molecular formula C9H18F2N2O2 and a molecular weight of 224.25 g/mol. Its IUPAC name is N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide.

Molecular Properties

Compound NameN-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
PubChem CID145401045
Molecular FormulaC9H18F2N2O2
Molecular Weight224.25 g/mol
Exact Mass224.13
IUPAC NameN-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide
SMILESCCC(=O)NCCCOCC(F)(F)CN
InChIInChI=1S/C9H18F2N2O2/c1-2-8(14)13-4-3-5-15-7-9(10,11)6-12/h2-7,12H2,1H3,(H,13,14)
InChIKeyDHFCOKTUQRQUJZ-UHFFFAOYSA-N
XLogP0.51
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,2,3,3-tetrafluoro-N,N'-bis(3-methoxypropyl)butanediamide
CID 2933513
beta-Alanine, n-pentafluoropropionyl-, ethyl ester
CID 91730315
beta-Alanine, n-pentafluoropropionyl-, propyl ester
CID 91735322
2,2,2-trifluoro-N-(3-prop-1-ynoxypropyl)acetamide
CID 91179709
3-[3-Oxo-3-(propylamino)propoxy]propanamide
CID 163661719
Butyl N-(trifluoroacetyl)-beta-alaninate
CID 520708
Putreanine, ethyl ester, bis(pentafluropropionyl)
CID 543740
beta-Alanyl-beta-alanine, n-pentafluoropropionyl-, propyl ester
CID 91714248
beta-Alanyl-beta-alanine, n-pentafluoropropionyl-, butyl ester
CID 91718940
N-[3-(3-aminopropoxy)propyl]-2,2,2-trifluoroacetamide
CID 21029229
3-[(2,2,2-Trifluoroacetyl)amino]propyl 2-methylpropanoate
CID 22089109
N-(3-aminopropyl)-2,2-dimethyl-3-(1,2,2-trifluoroethoxy)propanamide
CID 58502648

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide?
The IUPAC name of N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide (CID 145401045) is N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide.
What is the SMILES notation for N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide?
The canonical SMILES for N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide is CCC(=O)NCCCOCC(F)(F)CN.
What is the InChIKey of N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide?
The InChIKey is DHFCOKTUQRQUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2N2O2/c1-2-8(14)13-4-3-5-15-7-9(10,11)6-12/h2-7,12H2,1H3,(H,13,14).
What are the key properties of N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide?
N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide has a molecular weight of 224.25 g/mol, XLogP of 0.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-amino-2,2-difluoropropoxy)propyl]propanamide is sourced from PubChem (CID 145401045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).