N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide

C7H10F3NO2 — CID 175933194

IUPACN-(3,3,3-trifluoropropyl)oxetane-3-carboxamide
SMILESO=C(NCCC(F)(F)F)C1COC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)1-2-11-6(12)5-3-13-4-5/h5H,1-4H2,(H,11,12)
InChIKeyDIAZTHDVIBDTQD-UHFFFAOYSA-N
MW197.16 g/mol
LogP0.70
Rot. Bonds3

About N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide

N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide (PubChem CID 175933194) has the molecular formula C7H10F3NO2 and a molecular weight of 197.16 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)oxetane-3-carboxamide
PubChem CID175933194
Molecular FormulaC7H10F3NO2
Molecular Weight197.16 g/mol
Exact Mass197.07
IUPAC NameN-(3,3,3-trifluoropropyl)oxetane-3-carboxamide
SMILESO=C(NCCC(F)(F)F)C1COC1
InChIInChI=1S/C7H10F3NO2/c8-7(9,10)1-2-11-6(12)5-3-13-4-5/h5H,1-4H2,(H,11,12)
InChIKeyDIAZTHDVIBDTQD-UHFFFAOYSA-N
XLogP0.70
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide (CID 175933194) is N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide is O=C(NCCC(F)(F)F)C1COC1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide?
The InChIKey is DIAZTHDVIBDTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO2/c8-7(9,10)1-2-11-6(12)5-3-13-4-5/h5H,1-4H2,(H,11,12).
What are the key properties of N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide?
N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide has a molecular weight of 197.16 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)oxetane-3-carboxamide is sourced from PubChem (CID 175933194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).