4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine

C14H24FNO2 — CID 112562373

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C14H24FNO2/c15-14(4-1-12(16)2-5-14)11-3-7-18-13(9-11)6-8-17-10-13/h11-12H,1-10,16H2
InChIKeyDQLINOROLWVTAS-UHFFFAOYSA-N
MW257.35 g/mol
LogP2.18
Rot. Bonds1

About 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine

4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine (PubChem CID 112562373) has the molecular formula C14H24FNO2 and a molecular weight of 257.35 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine
PubChem CID112562373
Molecular FormulaC14H24FNO2
Molecular Weight257.35 g/mol
Exact Mass257.18
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine
SMILESNC1CCC(F)(C2CCOC3(CCOC3)C2)CC1
InChIInChI=1S/C14H24FNO2/c15-14(4-1-12(16)2-5-14)11-3-7-18-13(9-11)6-8-17-10-13/h11-12H,1-10,16H2
InChIKeyDQLINOROLWVTAS-UHFFFAOYSA-N
XLogP2.18
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine (CID 112562373) is 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine is NC1CCC(F)(C2CCOC3(CCOC3)C2)CC1.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine?
The InChIKey is DQLINOROLWVTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FNO2/c15-14(4-1-12(16)2-5-14)11-3-7-18-13(9-11)6-8-17-10-13/h11-12H,1-10,16H2.
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine?
4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine has a molecular weight of 257.35 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yl)-4-fluorocyclohexan-1-amine is sourced from PubChem (CID 112562373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).