(2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide

C11H19F2NO2 — CID 178017836

IUPAC(2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide
SMILESCCN(C(=O)[C@H]1CCC(F)(F)CO1)C(C)C
InChIInChI=1S/C11H19F2NO2/c1-4-14(8(2)3)10(15)9-5-6-11(12,13)7-16-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyLGVVOZXRBAYWMD-SECBINFHSA-N
MW235.27 g/mol
LogP2.06
Rot. Bonds3

About (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide

(2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide (PubChem CID 178017836) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide
PubChem CID178017836
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name(2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide
SMILESCCN(C(=O)[C@H]1CCC(F)(F)CO1)C(C)C
InChIInChI=1S/C11H19F2NO2/c1-4-14(8(2)3)10(15)9-5-6-11(12,13)7-16-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1
InChIKeyLGVVOZXRBAYWMD-SECBINFHSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide?
The IUPAC name of (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide (CID 178017836) is (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide.
What is the SMILES notation for (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide?
The canonical SMILES for (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide is CCN(C(=O)[C@H]1CCC(F)(F)CO1)C(C)C.
What is the InChIKey of (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide?
The InChIKey is LGVVOZXRBAYWMD-SECBINFHSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-4-14(8(2)3)10(15)9-5-6-11(12,13)7-16-9/h8-9H,4-7H2,1-3H3/t9-/m1/s1.
What are the key properties of (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide?
(2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide has a molecular weight of 235.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-5,5-difluoro-N-propan-2-yloxane-2-carboxamide is sourced from PubChem (CID 178017836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).