2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine

C12H22FNO2 — CID 112565220

IUPAC2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H22FNO2/c1-11(13,9-14)10-2-5-16-12(8-10)3-6-15-7-4-12/h10H,2-9,14H2,1H3
InChIKeyDTRCIVMHNGLANX-UHFFFAOYSA-N
MW231.31 g/mol
LogP1.65
Rot. Bonds2

About 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine

2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine (PubChem CID 112565220) has the molecular formula C12H22FNO2 and a molecular weight of 231.31 g/mol. Its IUPAC name is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine
PubChem CID112565220
Molecular FormulaC12H22FNO2
Molecular Weight231.31 g/mol
Exact Mass231.16
IUPAC Name2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine
SMILESCC(F)(CN)C1CCOC2(CCOCC2)C1
InChIInChI=1S/C12H22FNO2/c1-11(13,9-14)10-2-5-16-12(8-10)3-6-15-7-4-12/h10H,2-9,14H2,1H3
InChIKeyDTRCIVMHNGLANX-UHFFFAOYSA-N
XLogP1.65
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.31
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,9-Dioxaspiro[5.5]undecan-4-yl)methanamine
CID 79905069
4-Fluoro-4-(methoxymethyl)-5-(oxan-4-yl)pentan-1-amine
CID 103392477
4-(1,9-Dioxaspiro[5.5]undecan-4-yl)-4-fluoro-5-methoxypentan-1-amine
CID 103392491
4-Fluoro-5-methoxy-4-(1-oxaspiro[5.5]undecan-4-yl)pentan-1-amine
CID 103392629
3-(1,9-Dioxaspiro[5.5]undecan-4-yl)-3-fluoropropan-1-amine
CID 104277119
3-Fluoro-3-(oxan-3-yl)butan-1-amine
CID 105436233
2-Fluoro-2-methyl-3-(oxan-3-yl)propan-1-amine
CID 105436238
2-Fluoro-3-methyl-2-(oxan-3-yl)butan-1-amine
CID 107138254
2-[2,6-Dioxaspiro[4.5]decan-9-yl(fluoro)methyl]-3-methylbutan-1-amine
CID 107443542
2-[Fluoro(oxan-3-yl)methyl]-3-methylbutan-1-amine
CID 107443679
2-[Fluoro(1-oxaspiro[5.5]undecan-4-yl)methyl]-3-methylbutan-1-amine
CID 107443728
2-[Fluoro(oxan-4-yl)methyl]-3-methylbutan-1-amine
CID 107443775

Frequently Asked Questions

What is the IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine?
The IUPAC name of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine (CID 112565220) is 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine.
What is the SMILES notation for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine?
The canonical SMILES for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine is CC(F)(CN)C1CCOC2(CCOCC2)C1.
What is the InChIKey of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine?
The InChIKey is DTRCIVMHNGLANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO2/c1-11(13,9-14)10-2-5-16-12(8-10)3-6-15-7-4-12/h10H,2-9,14H2,1H3.
What are the key properties of 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine?
2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine has a molecular weight of 231.31 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,9-dioxaspiro[5.5]undecan-4-yl)-2-fluoropropan-1-amine is sourced from PubChem (CID 112565220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).