(2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide

C10H15F2NO2 — CID 167809192

IUPAC(2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)NC1(C(F)F)CC1
InChIInChI=1S/C10H15F2NO2/c1-6-2-5-15-7(6)8(14)13-10(3-4-10)9(11)12/h6-7,9H,2-5H2,1H3,(H,13,14)/t6-,7+/m1/s1
InChIKeyWHDXLAQJQMAFCG-RQJHMYQMSA-N
MW219.23 g/mol
LogP1.33
Rot. Bonds3

About (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide

(2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide (PubChem CID 167809192) has the molecular formula C10H15F2NO2 and a molecular weight of 219.23 g/mol. Its IUPAC name is (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide.

Molecular Properties

Compound Name(2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide
PubChem CID167809192
Molecular FormulaC10H15F2NO2
Molecular Weight219.23 g/mol
Exact Mass219.11
IUPAC Name(2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide
SMILESC[C@@H]1CCO[C@@H]1C(=O)NC1(C(F)F)CC1
InChIInChI=1S/C10H15F2NO2/c1-6-2-5-15-7(6)8(14)13-10(3-4-10)9(11)12/h6-7,9H,2-5H2,1H3,(H,13,14)/t6-,7+/m1/s1
InChIKeyWHDXLAQJQMAFCG-RQJHMYQMSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide?
The IUPAC name of (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide (CID 167809192) is (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide.
What is the SMILES notation for (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide?
The canonical SMILES for (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide is C[C@@H]1CCO[C@@H]1C(=O)NC1(C(F)F)CC1.
What is the InChIKey of (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide?
The InChIKey is WHDXLAQJQMAFCG-RQJHMYQMSA-N. The full InChI is InChI=1S/C10H15F2NO2/c1-6-2-5-15-7(6)8(14)13-10(3-4-10)9(11)12/h6-7,9H,2-5H2,1H3,(H,13,14)/t6-,7+/m1/s1.
What are the key properties of (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide?
(2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide has a molecular weight of 219.23 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[1-(difluoromethyl)cyclopropyl]-3-methyloxolane-2-carboxamide is sourced from PubChem (CID 167809192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).