3-fluoro-4-methoxybut-2-en-1-amine

C5H10FNO — CID 74823192

IUPAC3-fluoro-4-methoxybut-2-en-1-amine
SMILESCOCC(F)=CCN
InChIInChI=1S/C5H10FNO/c1-8-4-5(6)2-3-7/h2H,3-4,7H2,1H3
InChIKeyVQPZYOVPBYUZKH-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.44
Rot. Bonds3

About 3-fluoro-4-methoxybut-2-en-1-amine

3-fluoro-4-methoxybut-2-en-1-amine (PubChem CID 74823192) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 3-fluoro-4-methoxybut-2-en-1-amine.

Molecular Properties

Compound Name3-fluoro-4-methoxybut-2-en-1-amine
PubChem CID74823192
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name3-fluoro-4-methoxybut-2-en-1-amine
SMILESCOCC(F)=CCN
InChIInChI=1S/C5H10FNO/c1-8-4-5(6)2-3-7/h2H,3-4,7H2,1H3
InChIKeyVQPZYOVPBYUZKH-UHFFFAOYSA-N
XLogP0.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methoxybut-2-en-1-amine?
The IUPAC name of 3-fluoro-4-methoxybut-2-en-1-amine (CID 74823192) is 3-fluoro-4-methoxybut-2-en-1-amine.
What is the SMILES notation for 3-fluoro-4-methoxybut-2-en-1-amine?
The canonical SMILES for 3-fluoro-4-methoxybut-2-en-1-amine is COCC(F)=CCN.
What is the InChIKey of 3-fluoro-4-methoxybut-2-en-1-amine?
The InChIKey is VQPZYOVPBYUZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-8-4-5(6)2-3-7/h2H,3-4,7H2,1H3.
What are the key properties of 3-fluoro-4-methoxybut-2-en-1-amine?
3-fluoro-4-methoxybut-2-en-1-amine has a molecular weight of 119.14 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methoxybut-2-en-1-amine is sourced from PubChem (CID 74823192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).