(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine

C12H14FNO2 — CID 116532626

IUPAC(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine
SMILESNCC1COC2(CCc3cc(F)ccc32)O1
InChIInChI=1S/C12H14FNO2/c13-9-1-2-11-8(5-9)3-4-12(11)15-7-10(6-14)16-12/h1-2,5,10H,3-4,6-7,14H2
InChIKeyHVDDUIXRHZANFR-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.30
Rot. Bonds1

About (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine

(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine (PubChem CID 116532626) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine.

Molecular Properties

Compound Name(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine
PubChem CID116532626
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine
SMILESNCC1COC2(CCc3cc(F)ccc32)O1
InChIInChI=1S/C12H14FNO2/c13-9-1-2-11-8(5-9)3-4-12(11)15-7-10(6-14)16-12/h1-2,5,10H,3-4,6-7,14H2
InChIKeyHVDDUIXRHZANFR-UHFFFAOYSA-N
XLogP1.30
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine?
The IUPAC name of (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine (CID 116532626) is (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine.
What is the SMILES notation for (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine?
The canonical SMILES for (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine is NCC1COC2(CCc3cc(F)ccc32)O1.
What is the InChIKey of (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine?
The InChIKey is HVDDUIXRHZANFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-9-1-2-11-8(5-9)3-4-12(11)15-7-10(6-14)16-12/h1-2,5,10H,3-4,6-7,14H2.
What are the key properties of (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine?
(6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine has a molecular weight of 223.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluorospiro[1,2-dihydroindene-3,2'-1,3-dioxolane]-4'-yl)methanamine is sourced from PubChem (CID 116532626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).