2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine

C11H14FNO2 — CID 82158506

IUPAC2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine
SMILESNCCC1OCC(c2ccc(F)cc2)O1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-8(2-4-9)10-7-14-11(15-10)5-6-13/h1-4,10-11H,5-7,13H2
InChIKeyZGKUFVADEMJOJB-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.59
Rot. Bonds3

About 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine

2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine (PubChem CID 82158506) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine
PubChem CID82158506
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine
SMILESNCCC1OCC(c2ccc(F)cc2)O1
InChIInChI=1S/C11H14FNO2/c12-9-3-1-8(2-4-9)10-7-14-11(15-10)5-6-13/h1-4,10-11H,5-7,13H2
InChIKeyZGKUFVADEMJOJB-UHFFFAOYSA-N
XLogP1.59
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-chlorophenyl)-1,3-dioxolan-2-yl]ethanamine
CID 82158926
2-[2-[(4-fluorophenyl)methyl]-1,3-dioxolan-4-yl]ethanamine
CID 117169642
2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine
CID 82160188
[4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine
CID 82158767
[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
CID 82158224
[5-(4-fluorophenyl)oxolan-3-yl]methanol
CID 13151493
(2R,6S)-4-chloro-2,6-bis(4-fluorophenyl)oxane
CID 10892229
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221
5-butyl-2-(4-fluorophenyl)oxane
CID 21247644
butanal;2-phenyloxirane;4-phenyl-2-propyl-1,3-dioxolane
CID 158152316
(2R,5S)-2-(4-fluorophenyl)-5-methylmorpholine;(5S)-2-(4-fluorophenyl)-5-methylmorpholine
CID 158378174
(2S)-2-[4-[(2S)-oxiran-2-yl]phenyl]oxirane
CID 91864912

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine?
The IUPAC name of 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine (CID 82158506) is 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine.
What is the SMILES notation for 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine?
The canonical SMILES for 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine is NCCC1OCC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine?
The InChIKey is ZGKUFVADEMJOJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c12-9-3-1-8(2-4-9)10-7-14-11(15-10)5-6-13/h1-4,10-11H,5-7,13H2.
What are the key properties of 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine?
2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine has a molecular weight of 211.24 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine is sourced from PubChem (CID 82158506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).