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

C10H17F2NO2 — CID 169193475

IUPAC(3R)-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-/m1/s1
InChIKeyIHVHYYMOFNQULF-HTQZYQBOSA-N
MW221.25 g/mol
LogP1.57
Rot. Bonds5

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

(3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide (PubChem CID 169193475) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is (3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide
PubChem CID169193475
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name(3R)-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-/m1/s1
InChIKeyIHVHYYMOFNQULF-HTQZYQBOSA-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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Related Compounds

N-[2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]oxolane-3-carboxamide
CID 71863294
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
N-ethyl-3-fluorooxolane-3-carboxamide
CID 130709196
3-fluoro-N-propan-2-yloxolane-3-carboxamide
CID 131038892
N-[(2R)-3-methylbutan-2-yl]-1-(trifluoromethoxymethyl)cyclopropane-1-carboxamide
CID 167135264
(3S)-N-[(1S)-3,3-difluoro-1-(methylamino)propyl]oxolane-3-carboxamide
CID 169193233
(3S)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide
CID 169194180
4-[3-(ethylamino)propoxy]-N-(1,1,1-trifluoropropan-2-yl)butanamide
CID 169664689
3-methyl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 169861853
3-tert-butyl-N-(4,4,4-trifluorobutyl)oxolane-3-carboxamide
CID 169862061
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 61272382
4-amino-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 66235226

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide (CID 169193475) is (3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-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 (3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide?
The InChIKey is IHVHYYMOFNQULF-HTQZYQBOSA-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-/m1/s1.
What are the key properties of (3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide?
(3R)-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 (3R)-N-[(3R)-1,1-difluoropentan-3-yl]oxolane-3-carboxamide is sourced from PubChem (CID 169193475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).