[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine

C10H14FNO — CID 142279462

IUPAC[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine
SMILESC=CC1=C(C(=C)F)C(CN)OCC1
InChIInChI=1S/C10H14FNO/c1-3-8-4-5-13-9(6-12)10(8)7(2)11/h3,9H,1-2,4-6,12H2
InChIKeyXGYFQZQQKUCGHL-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.70
Rot. Bonds3

About [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine

[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine (PubChem CID 142279462) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine.

Molecular Properties

Compound Name[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine
PubChem CID142279462
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine
SMILESC=CC1=C(C(=C)F)C(CN)OCC1
InChIInChI=1S/C10H14FNO/c1-3-8-4-5-13-9(6-12)10(8)7(2)11/h3,9H,1-2,4-6,12H2
InChIKeyXGYFQZQQKUCGHL-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine?
The IUPAC name of [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine (CID 142279462) is [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine.
What is the SMILES notation for [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine?
The canonical SMILES for [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine is C=CC1=C(C(=C)F)C(CN)OCC1.
What is the InChIKey of [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine?
The InChIKey is XGYFQZQQKUCGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-8-4-5-13-9(6-12)10(8)7(2)11/h3,9H,1-2,4-6,12H2.
What are the key properties of [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine?
[4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine has a molecular weight of 183.23 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethenyl-5-(1-fluoroethenyl)-3,6-dihydro-2H-pyran-6-yl]methanamine is sourced from PubChem (CID 142279462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).