3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide

C12H19F2NO3 — CID 114189018

IUPAC3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1CCC(F)(F)C1
InChIInChI=1S/C12H19F2NO3/c13-12(14)2-1-9(7-12)10(17)15-11(8-16)3-5-18-6-4-11/h9,16H,1-8H2,(H,15,17)
InChIKeySELDDXLAJCHBET-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.08
Rot. Bonds3

About 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide

3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide (PubChem CID 114189018) has the molecular formula C12H19F2NO3 and a molecular weight of 263.28 g/mol. Its IUPAC name is 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide
PubChem CID114189018
Molecular FormulaC12H19F2NO3
Molecular Weight263.28 g/mol
Exact Mass263.13
IUPAC Name3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide
SMILESO=C(NC1(CO)CCOCC1)C1CCC(F)(F)C1
InChIInChI=1S/C12H19F2NO3/c13-12(14)2-1-9(7-12)10(17)15-11(8-16)3-5-18-6-4-11/h9,16H,1-8H2,(H,15,17)
InChIKeySELDDXLAJCHBET-UHFFFAOYSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide?
The IUPAC name of 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide (CID 114189018) is 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide is O=C(NC1(CO)CCOCC1)C1CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide?
The InChIKey is SELDDXLAJCHBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F2NO3/c13-12(14)2-1-9(7-12)10(17)15-11(8-16)3-5-18-6-4-11/h9,16H,1-8H2,(H,15,17).
What are the key properties of 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide?
3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 114189018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).