N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide

C11H20F2N2O2 — CID 114383760

IUPACN-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(F)(F)CN)C1C
InChIInChI=1S/C11H20F2N2O2/c1-6-7(2)17-8(3)9(6)10(16)15-5-11(12,13)4-14/h6-9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyJYUYELLSVQDUFP-UHFFFAOYSA-N
MW250.29 g/mol
LogP0.76
Rot. Bonds4

About N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide

N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide (PubChem CID 114383760) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide
PubChem CID114383760
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide
SMILESCC1OC(C)C(C(=O)NCC(F)(F)CN)C1C
InChIInChI=1S/C11H20F2N2O2/c1-6-7(2)17-8(3)9(6)10(16)15-5-11(12,13)4-14/h6-9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyJYUYELLSVQDUFP-UHFFFAOYSA-N
XLogP0.76
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide (CID 114383760) is N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide is CC1OC(C)C(C(=O)NCC(F)(F)CN)C1C.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide?
The InChIKey is JYUYELLSVQDUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-6-7(2)17-8(3)9(6)10(16)15-5-11(12,13)4-14/h6-9H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide has a molecular weight of 250.29 g/mol, XLogP of 0.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethyloxolane-3-carboxamide is sourced from PubChem (CID 114383760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).