N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine

C14H15F2NO — CID 164673622

IUPACN-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine
SMILESCN(C1CC1)C1OC(c2ccccc2)=CC1(F)F
InChIInChI=1S/C14H15F2NO/c1-17(11-7-8-11)13-14(15,16)9-12(18-13)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3
InChIKeyYOPWSPZOKLORSZ-UHFFFAOYSA-N
MW251.28 g/mol
LogP3.11
Rot. Bonds3

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

N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine (PubChem CID 164673622) has the molecular formula C14H15F2NO and a molecular weight of 251.28 g/mol. Its IUPAC name is N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine
PubChem CID164673622
Molecular FormulaC14H15F2NO
Molecular Weight251.28 g/mol
Exact Mass251.11
IUPAC NameN-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine
SMILESCN(C1CC1)C1OC(c2ccccc2)=CC1(F)F
InChIInChI=1S/C14H15F2NO/c1-17(11-7-8-11)13-14(15,16)9-12(18-13)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3
InChIKeyYOPWSPZOKLORSZ-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.28
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine?
The IUPAC name of N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine (CID 164673622) is N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine.
What is the SMILES notation for N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine?
The canonical SMILES for N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine is CN(C1CC1)C1OC(c2ccccc2)=CC1(F)F.
What is the InChIKey of N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine?
The InChIKey is YOPWSPZOKLORSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO/c1-17(11-7-8-11)13-14(15,16)9-12(18-13)10-5-3-2-4-6-10/h2-6,9,11,13H,7-8H2,1H3.
What are the key properties of N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine?
N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine has a molecular weight of 251.28 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3,3-difluoro-N-methyl-5-phenyl-2H-furan-2-amine is sourced from PubChem (CID 164673622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).