(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide

C10H17F2NO2 — CID 169194180

IUPAC(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide
SMILESCC[C@H](CC(F)F)NC(=O)[C@H]1CCOC1
InChIInChI=1S/C10H17F2NO2/c1-2-8(5-9(11)12)13-10(14)7-3-4-15-6-7/h7-9H,2-6H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyIHVHYYMOFNQULF-JGVFFNPUSA-N
MW221.25 g/mol
LogP1.57
Rot. Bonds5

About (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide

(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide (PubChem CID 169194180) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide
PubChem CID169194180
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide
SMILESCC[C@H](CC(F)F)NC(=O)[C@H]1CCOC1
InChIInChI=1S/C10H17F2NO2/c1-2-8(5-9(11)12)13-10(14)7-3-4-15-6-7/h7-9H,2-6H2,1H3,(H,13,14)/t7-,8+/m0/s1
InChIKeyIHVHYYMOFNQULF-JGVFFNPUSA-N
XLogP1.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide (CID 169194180) is (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide is CC[C@H](CC(F)F)NC(=O)[C@H]1CCOC1.
What is the InChIKey of (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide?
The InChIKey is IHVHYYMOFNQULF-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-2-8(5-9(11)12)13-10(14)7-3-4-15-6-7/h7-9H,2-6H2,1H3,(H,13,14)/t7-,8+/m0/s1.
What are the key properties of (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide?
(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide has a molecular weight of 221.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 169194180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).