3-(2,2-difluoroethylamino)propyl prop-2-enoate

C8H13F2NO2 — CID 175169617

IUPAC3-(2,2-difluoroethylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNCC(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-8(12)13-5-3-4-11-6-7(9)10/h2,7,11H,1,3-6H2
InChIKeyUYULSFYIHCGKDG-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.96
Rot. Bonds7

About 3-(2,2-difluoroethylamino)propyl prop-2-enoate

3-(2,2-difluoroethylamino)propyl prop-2-enoate (PubChem CID 175169617) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 3-(2,2-difluoroethylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(2,2-difluoroethylamino)propyl prop-2-enoate
PubChem CID175169617
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name3-(2,2-difluoroethylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNCC(F)F
InChIInChI=1S/C8H13F2NO2/c1-2-8(12)13-5-3-4-11-6-7(9)10/h2,7,11H,1,3-6H2
InChIKeyUYULSFYIHCGKDG-UHFFFAOYSA-N
XLogP0.96
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-prop-2-enoyloxyoctyl prop-2-enoate
CID 12934232
azane;3-prop-2-enoyloxypropyl prop-2-enoate
CID 162679005
4-prop-2-enoyloxybutyl prop-2-enoate;6-prop-2-enoyloxyhexyl prop-2-enoate
CID 158256375
(6-fluoro-6-prop-2-enoyloxyhexyl) prop-2-enoate
CID 141014379
3-(butan-2-ylamino)propyl prop-2-enoate
CID 54483162
4-[1,2,2-tris(4-prop-2-enoyloxybutoxy)ethoxy]butyl prop-2-enoate
CID 134465338
14-fluorotetradecyl prop-2-enoate
CID 142675259
2-formamidoethyl prop-2-enoate
CID 18401312
11-fluoroundecyl prop-2-enoate
CID 88673047
methyl 3-fluoro-6-prop-2-enoyloxyhexanoate
CID 154715261
2-(tridecylamino)ethyl prop-2-enoate
CID 141468520
CID 156681384
CID 156681384

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylamino)propyl prop-2-enoate?
The IUPAC name of 3-(2,2-difluoroethylamino)propyl prop-2-enoate (CID 175169617) is 3-(2,2-difluoroethylamino)propyl prop-2-enoate.
What is the SMILES notation for 3-(2,2-difluoroethylamino)propyl prop-2-enoate?
The canonical SMILES for 3-(2,2-difluoroethylamino)propyl prop-2-enoate is C=CC(=O)OCCCNCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylamino)propyl prop-2-enoate?
The InChIKey is UYULSFYIHCGKDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-2-8(12)13-5-3-4-11-6-7(9)10/h2,7,11H,1,3-6H2.
What are the key properties of 3-(2,2-difluoroethylamino)propyl prop-2-enoate?
3-(2,2-difluoroethylamino)propyl prop-2-enoate has a molecular weight of 193.19 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylamino)propyl prop-2-enoate is sourced from PubChem (CID 175169617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).