3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine

C12H13F2NO — CID 164673224

IUPAC3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine
SMILESCN(C)C1OC(c2ccccc2)=CC1(F)F
InChIInChI=1S/C12H13F2NO/c1-15(2)11-12(13,14)8-10(16-11)9-6-4-3-5-7-9/h3-8,11H,1-2H3
InChIKeyCQSJFTQUPUZYES-UHFFFAOYSA-N
MW225.24 g/mol
LogP2.58
Rot. Bonds2

About 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine

3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine (PubChem CID 164673224) has the molecular formula C12H13F2NO and a molecular weight of 225.24 g/mol. Its IUPAC name is 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine.

Molecular Properties

Compound Name3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine
PubChem CID164673224
Molecular FormulaC12H13F2NO
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine
SMILESCN(C)C1OC(c2ccccc2)=CC1(F)F
InChIInChI=1S/C12H13F2NO/c1-15(2)11-12(13,14)8-10(16-11)9-6-4-3-5-7-9/h3-8,11H,1-2H3
InChIKeyCQSJFTQUPUZYES-UHFFFAOYSA-N
XLogP2.58
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine?
The IUPAC name of 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine (CID 164673224) is 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine.
What is the SMILES notation for 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine?
The canonical SMILES for 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine is CN(C)C1OC(c2ccccc2)=CC1(F)F.
What is the InChIKey of 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine?
The InChIKey is CQSJFTQUPUZYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO/c1-15(2)11-12(13,14)8-10(16-11)9-6-4-3-5-7-9/h3-8,11H,1-2H3.
What are the key properties of 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine?
3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine has a molecular weight of 225.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N,N-dimethyl-5-phenyl-2H-furan-2-amine is sourced from PubChem (CID 164673224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).