5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine

C12H16FNO2 — CID 118308711

IUPAC5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(N)(c2ccc(F)cc2)CO1
InChIInChI=1S/C12H16FNO2/c1-11(2)15-7-12(14,8-16-11)9-3-5-10(13)6-4-9/h3-6H,7-8,14H2,1-2H3
InChIKeyCBIIZVCYDZUMHD-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.76
Rot. Bonds1

About 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine

5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine (PubChem CID 118308711) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
PubChem CID118308711
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine
SMILESCC1(C)OCC(N)(c2ccc(F)cc2)CO1
InChIInChI=1S/C12H16FNO2/c1-11(2)15-7-12(14,8-16-11)9-3-5-10(13)6-4-9/h3-6H,7-8,14H2,1-2H3
InChIKeyCBIIZVCYDZUMHD-UHFFFAOYSA-N
XLogP1.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The IUPAC name of 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine (CID 118308711) is 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine.
What is the SMILES notation for 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The canonical SMILES for 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine is CC1(C)OCC(N)(c2ccc(F)cc2)CO1.
What is the InChIKey of 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
The InChIKey is CBIIZVCYDZUMHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-11(2)15-7-12(14,8-16-11)9-3-5-10(13)6-4-9/h3-6H,7-8,14H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine?
5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine has a molecular weight of 225.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2,2-dimethyl-1,3-dioxan-5-amine is sourced from PubChem (CID 118308711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).