ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine

C10H19FN2 — CID 162729111

IUPACethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine
SMILESCC.CC/C(N)=C/C1=NCCC1F
InChIInChI=1S/C8H13FN2.C2H6/c1-2-6(10)5-8-7(9)3-4-11-8;1-2/h5,7H,2-4,10H2,1H3;1-2H3/b6-5-;
InChIKeyIMXSDQCSZIBOEH-YSMBQZINSA-N
MW186.27 g/mol
LogP2.45
Rot. Bonds2

About ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine

ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine (PubChem CID 162729111) has the molecular formula C10H19FN2 and a molecular weight of 186.27 g/mol. Its IUPAC name is ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine
PubChem CID162729111
Molecular FormulaC10H19FN2
Molecular Weight186.27 g/mol
Exact Mass186.15
IUPAC Nameethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine
SMILESCC.CC/C(N)=C/C1=NCCC1F
InChIInChI=1S/C8H13FN2.C2H6/c1-2-6(10)5-8-7(9)3-4-11-8;1-2/h5,7H,2-4,10H2,1H3;1-2H3/b6-5-;
InChIKeyIMXSDQCSZIBOEH-YSMBQZINSA-N
XLogP2.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine?
The IUPAC name of ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine (CID 162729111) is ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine.
What is the SMILES notation for ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine?
The canonical SMILES for ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine is CC.CC/C(N)=C/C1=NCCC1F.
What is the InChIKey of ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine?
The InChIKey is IMXSDQCSZIBOEH-YSMBQZINSA-N. The full InChI is InChI=1S/C8H13FN2.C2H6/c1-2-6(10)5-8-7(9)3-4-11-8;1-2/h5,7H,2-4,10H2,1H3;1-2H3/b6-5-;.
What are the key properties of ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine?
ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine has a molecular weight of 186.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-1-(4-fluoro-3,4-dihydro-2H-pyrrol-5-yl)but-1-en-2-amine is sourced from PubChem (CID 162729111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).