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

C10H12FNO2 — CID 82158224

IUPAC[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
SMILESNCC1OCC(c2ccccc2F)O1
InChIInChI=1S/C10H12FNO2/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,9-10H,5-6,12H2
InChIKeySPEOIGDDWAUYIB-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.20
Rot. Bonds2

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

[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine (PubChem CID 82158224) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is [4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine.

Molecular Properties

Compound Name[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
PubChem CID82158224
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine
SMILESNCC1OCC(c2ccccc2F)O1
InChIInChI=1S/C10H12FNO2/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,9-10H,5-6,12H2
InChIKeySPEOIGDDWAUYIB-UHFFFAOYSA-N
XLogP1.20
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-bromophenyl)-1,3-dioxolan-2-yl]ethanamine
CID 82160188
2-[4-(4-fluorophenyl)-1,3-dioxolan-2-yl]ethanamine
CID 82158506
2-[2-(2-fluorophenyl)morpholin-4-yl]ethanamine
CID 82024344
[4-(4-propan-2-ylphenyl)-1,3-dioxolan-2-yl]methanamine
CID 82158767
[3-(2-fluorophenyl)-7-oxabicyclo[2.2.1]heptan-2-yl]methanamine
CID 117194090
(2S,6R)-4-bromo-2,6-bis(2-fluorophenyl)oxane
CID 166436706
1-(2-fluorophenyl)-1,3-dihydro-2-benzofuran
CID 151716486
[3-(2-fluorophenyl)cyclopentyl]methanamine
CID 82281650
[(1R,4R)-8-fluoro-4-methyl-3,4-dihydro-1H-isochromen-1-yl]methanamine
CID 165409732
(2R,4R)-2-(bromomethyl)-4-(2-fluorophenyl)oxolane
CID 125456369
(2S,5R)-5-(2-fluorophenyl)-2-(iodomethyl)oxane
CID 125455276
(1S,2R,6S)-2-(2-fluorophenyl)-3,4,7-trioxabicyclo[4.1.0]heptane
CID 24797239

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine?
The IUPAC name of [4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine (CID 82158224) is [4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine.
What is the SMILES notation for [4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine?
The canonical SMILES for [4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine is NCC1OCC(c2ccccc2F)O1.
What is the InChIKey of [4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine?
The InChIKey is SPEOIGDDWAUYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-8-4-2-1-3-7(8)9-6-13-10(5-12)14-9/h1-4,9-10H,5-6,12H2.
What are the key properties of [4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine?
[4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine has a molecular weight of 197.21 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorophenyl)-1,3-dioxolan-2-yl]methanamine is sourced from PubChem (CID 82158224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).