(Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine

C7H9F2NO — CID 143725824

IUPAC(Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine
SMILESC/C(N)=C/C1=CC(F)(F)CO1
InChIInChI=1S/C7H9F2NO/c1-5(10)2-6-3-7(8,9)4-11-6/h2-3H,4,10H2,1H3/b5-2-
InChIKeyZPPBIFILRNSDIB-DJWKRKHSSA-N
MW161.15 g/mol
LogP1.40
Rot. Bonds1

About (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine

(Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine (PubChem CID 143725824) has the molecular formula C7H9F2NO and a molecular weight of 161.15 g/mol. Its IUPAC name is (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine
PubChem CID143725824
Molecular FormulaC7H9F2NO
Molecular Weight161.15 g/mol
Exact Mass161.07
IUPAC Name(Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine
SMILESC/C(N)=C/C1=CC(F)(F)CO1
InChIInChI=1S/C7H9F2NO/c1-5(10)2-6-3-7(8,9)4-11-6/h2-3H,4,10H2,1H3/b5-2-
InChIKeyZPPBIFILRNSDIB-DJWKRKHSSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.15
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine?
The IUPAC name of (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine (CID 143725824) is (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine?
The canonical SMILES for (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine is C/C(N)=C/C1=CC(F)(F)CO1.
What is the InChIKey of (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine?
The InChIKey is ZPPBIFILRNSDIB-DJWKRKHSSA-N. The full InChI is InChI=1S/C7H9F2NO/c1-5(10)2-6-3-7(8,9)4-11-6/h2-3H,4,10H2,1H3/b5-2-.
What are the key properties of (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine?
(Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine has a molecular weight of 161.15 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,3-difluoro-2H-furan-5-yl)prop-1-en-2-amine is sourced from PubChem (CID 143725824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).