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

C11H16F2N2O2 — CID 114383368

IUPACN-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCC(F)(F)CN)c1C
InChIInChI=1S/C11H16F2N2O2/c1-6-7(2)17-8(3)9(6)10(16)15-5-11(12,13)4-14/h4-5,14H2,1-3H3,(H,15,16)
InChIKeySKVJPNSYQLOLLF-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.53
Rot. Bonds4

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

N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide (PubChem CID 114383368) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide
PubChem CID114383368
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC NameN-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide
SMILESCc1oc(C)c(C(=O)NCC(F)(F)CN)c1C
InChIInChI=1S/C11H16F2N2O2/c1-6-7(2)17-8(3)9(6)10(16)15-5-11(12,13)4-14/h4-5,14H2,1-3H3,(H,15,16)
InChIKeySKVJPNSYQLOLLF-UHFFFAOYSA-N
XLogP1.53
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.53
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-trimethylfuran-3-carboxamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide (CID 114383368) is N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-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-trimethylfuran-3-carboxamide?
The InChIKey is SKVJPNSYQLOLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-6-7(2)17-8(3)9(6)10(16)15-5-11(12,13)4-14/h4-5,14H2,1-3H3,(H,15,16).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide?
N-(3-amino-2,2-difluoropropyl)-2,4,5-trimethylfuran-3-carboxamide has a molecular weight of 246.26 g/mol, XLogP of 1.53, 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-trimethylfuran-3-carboxamide is sourced from PubChem (CID 114383368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).