3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine

C10H11F2NO — CID 54233584

IUPAC3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine
SMILESNCC(=CF)COc1ccc(F)cc1
InChIInChI=1S/C10H11F2NO/c11-5-8(6-13)7-14-10-3-1-9(12)2-4-10/h1-5H,6-7,13H2
InChIKeyQKYYQNSBMPNWOO-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.02
Rot. Bonds4

About 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine

3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine (PubChem CID 54233584) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine.

Molecular Properties

Compound Name3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine
PubChem CID54233584
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine
SMILESNCC(=CF)COc1ccc(F)cc1
InChIInChI=1S/C10H11F2NO/c11-5-8(6-13)7-14-10-3-1-9(12)2-4-10/h1-5H,6-7,13H2
InChIKeyQKYYQNSBMPNWOO-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine?
The IUPAC name of 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine (CID 54233584) is 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine.
What is the SMILES notation for 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine?
The canonical SMILES for 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine is NCC(=CF)COc1ccc(F)cc1.
What is the InChIKey of 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine?
The InChIKey is QKYYQNSBMPNWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c11-5-8(6-13)7-14-10-3-1-9(12)2-4-10/h1-5H,6-7,13H2.
What are the key properties of 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine?
3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine has a molecular weight of 199.20 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[(4-fluorophenoxy)methyl]prop-2-en-1-amine is sourced from PubChem (CID 54233584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).