N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide

C9H15F2NO3 — CID 103822648

IUPACN-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCCO1
InChIInChI=1S/C9H15F2NO3/c10-8(11)6(13)5-12-9(14)7-3-1-2-4-15-7/h6-8,13H,1-5H2,(H,12,14)
InChIKeyZNSYBJXNVZESEY-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.30
Rot. Bonds4

About N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide

N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide (PubChem CID 103822648) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide
PubChem CID103822648
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide
SMILESO=C(NCC(O)C(F)F)C1CCCCO1
InChIInChI=1S/C9H15F2NO3/c10-8(11)6(13)5-12-9(14)7-3-1-2-4-15-7/h6-8,13H,1-5H2,(H,12,14)
InChIKeyZNSYBJXNVZESEY-UHFFFAOYSA-N
XLogP0.30
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(3,3-difluoro-2-hydroxypropyl)oxolane-2-carboxamide
CID 103850586
N-[(2R)-2-hydroxypropyl]oxolane-2-carboxamide
CID 83031393
N-(2-hydroxypropyl)oxolane-2-carboxamide
CID 43392747
2-hydroxy-3-(oxolane-2-carbonylamino)propanoic acid
CID 66166616
3-methyl-2-[(oxane-2-carbonylamino)methyl]butanoic acid
CID 65219907
N-[2-(4-aminophenyl)-2-hydroxyethyl]oxane-2-carboxamide
CID 62214928
N-(2-cyanopropyl)oxane-2-carboxamide
CID 62652934
(2R)-N-[2-methyl-3-(methylamino)propyl]oxolane-2-carboxamide
CID 104856434
(2S)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103873933
(2R)-N-(2-hydroxy-4-methylpentyl)oxolane-2-carboxamide
CID 103850592
N-(2-oxopropyl)oxane-2-carboxamide
CID 64997273
(2R)-N-(2-amino-2-cyclopropylethyl)oxolane-2-carboxamide
CID 104856432

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide (CID 103822648) is N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide is O=C(NCC(O)C(F)F)C1CCCCO1.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide?
The InChIKey is ZNSYBJXNVZESEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c10-8(11)6(13)5-12-9(14)7-3-1-2-4-15-7/h6-8,13H,1-5H2,(H,12,14).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide?
N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide has a molecular weight of 223.22 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)oxane-2-carboxamide is sourced from PubChem (CID 103822648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).