2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

C14H26FNO — CID 112565908

IUPAC2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCC(F)(CN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H26FNO/c1-2-14(15,11-16)12-6-9-17-13(10-12)7-4-3-5-8-13/h12H,2-11,16H2,1H3
InChIKeyQWUNBBVIBGEMOW-UHFFFAOYSA-N
MW243.37 g/mol
LogP3.19
Rot. Bonds3

About 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine

2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 112565908) has the molecular formula C14H26FNO and a molecular weight of 243.37 g/mol. Its IUPAC name is 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID112565908
Molecular FormulaC14H26FNO
Molecular Weight243.37 g/mol
Exact Mass243.20
IUPAC Name2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCCC(F)(CN)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H26FNO/c1-2-14(15,11-16)12-6-9-17-13(10-12)7-4-3-5-8-13/h12H,2-11,16H2,1H3
InChIKeyQWUNBBVIBGEMOW-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.37
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-Dimethyloxan-4-yl)-4-methylpentan-1-amine
CID 3741343
2-(2-ethyl-4-isopropyl-2-methyltetrahydro-2H-pyran-4-yl)ethanamine
CID 4371711
[1-(2-Fluoroethoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 80699286
[1-(3-Fluoropropoxy)-4-propan-2-ylcyclohexyl]methanamine
CID 81105338
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-(3-methylcyclohexyl)pentan-1-amine
CID 103392496
4-Cyclohexyl-4-fluoro-5-methoxypentan-1-amine
CID 103392516
4-(Cyclohexylmethyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392519
4-Fluoro-5-methoxy-4-(4-methylcyclohexyl)pentan-1-amine
CID 103392529
4-(3,5-Dimethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392563
4-(4-Ethylcyclohexyl)-4-fluoro-5-methoxypentan-1-amine
CID 103392599

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine (CID 112565908) is 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is CCC(F)(CN)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is QWUNBBVIBGEMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNO/c1-2-14(15,11-16)12-6-9-17-13(10-12)7-4-3-5-8-13/h12H,2-11,16H2,1H3.
What are the key properties of 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine?
2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 243.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(1-oxaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 112565908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).