N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine

C8H12FNO — CID 90788618

IUPACN-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine
SMILESC=C1C=C(N(C)CCF)CO1
InChIInChI=1S/C8H12FNO/c1-7-5-8(6-11-7)10(2)4-3-9/h5H,1,3-4,6H2,2H3
InChIKeyDKGQAAKDQGLMMG-UHFFFAOYSA-N
MW157.19 g/mol
LogP1.32
Rot. Bonds3

About N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine

N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine (PubChem CID 90788618) has the molecular formula C8H12FNO and a molecular weight of 157.19 g/mol. Its IUPAC name is N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine
PubChem CID90788618
Molecular FormulaC8H12FNO
Molecular Weight157.19 g/mol
Exact Mass157.09
IUPAC NameN-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine
SMILESC=C1C=C(N(C)CCF)CO1
InChIInChI=1S/C8H12FNO/c1-7-5-8(6-11-7)10(2)4-3-9/h5H,1,3-4,6H2,2H3
InChIKeyDKGQAAKDQGLMMG-UHFFFAOYSA-N
XLogP1.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine?
The IUPAC name of N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine (CID 90788618) is N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine.
What is the SMILES notation for N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine?
The canonical SMILES for N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine is C=C1C=C(N(C)CCF)CO1.
What is the InChIKey of N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine?
The InChIKey is DKGQAAKDQGLMMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO/c1-7-5-8(6-11-7)10(2)4-3-9/h5H,1,3-4,6H2,2H3.
What are the key properties of N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine?
N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine has a molecular weight of 157.19 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-N-methyl-5-methylidene-2H-furan-3-amine is sourced from PubChem (CID 90788618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).