2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

C9H13F4NO2 — CID 104957568

IUPAC2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESO=C(NCC1(CCO)CC1)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c10-6(11)9(12,13)7(16)14-5-8(1-2-8)3-4-15/h6,15H,1-5H2,(H,14,16)
InChIKeyGIIJQXWWTQKCNP-UHFFFAOYSA-N
MW243.20 g/mol
LogP1.17
Rot. Bonds6

About 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide

2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (PubChem CID 104957568) has the molecular formula C9H13F4NO2 and a molecular weight of 243.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
PubChem CID104957568
Molecular FormulaC9H13F4NO2
Molecular Weight243.20 g/mol
Exact Mass243.09
IUPAC Name2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide
SMILESO=C(NCC1(CCO)CC1)C(F)(F)C(F)F
InChIInChI=1S/C9H13F4NO2/c10-6(11)9(12,13)7(16)14-5-8(1-2-8)3-4-15/h6,15H,1-5H2,(H,14,16)
InChIKeyGIIJQXWWTQKCNP-UHFFFAOYSA-N
XLogP1.17
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.20
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide (CID 104957568) is 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is O=C(NCC1(CCO)CC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
The InChIKey is GIIJQXWWTQKCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F4NO2/c10-6(11)9(12,13)7(16)14-5-8(1-2-8)3-4-15/h6,15H,1-5H2,(H,14,16).
What are the key properties of 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide?
2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide has a molecular weight of 243.20 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 104957568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).