2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine

C14H26FNOS — CID 112566962

IUPAC2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCC(C)C(F)(CN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H26FNOS/c1-11(2)14(15,10-16)12-3-6-17-13(9-12)4-7-18-8-5-13/h11-12H,3-10,16H2,1-2H3
InChIKeyZHDRGTLJKBYILZ-UHFFFAOYSA-N
MW275.43 g/mol
LogP3.00
Rot. Bonds3

About 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine

2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine (PubChem CID 112566962) has the molecular formula C14H26FNOS and a molecular weight of 275.43 g/mol. Its IUPAC name is 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
PubChem CID112566962
Molecular FormulaC14H26FNOS
Molecular Weight275.43 g/mol
Exact Mass275.17
IUPAC Name2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine
SMILESCC(C)C(F)(CN)C1CCOC2(CCSCC2)C1
InChIInChI=1S/C14H26FNOS/c1-11(2)14(15,10-16)12-3-6-17-13(9-12)4-7-18-8-5-13/h11-12H,3-10,16H2,1-2H3
InChIKeyZHDRGTLJKBYILZ-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine?
The IUPAC name of 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine (CID 112566962) is 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine.
What is the SMILES notation for 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine?
The canonical SMILES for 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine is CC(C)C(F)(CN)C1CCOC2(CCSCC2)C1.
What is the InChIKey of 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine?
The InChIKey is ZHDRGTLJKBYILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26FNOS/c1-11(2)14(15,10-16)12-3-6-17-13(9-12)4-7-18-8-5-13/h11-12H,3-10,16H2,1-2H3.
What are the key properties of 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine?
2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine has a molecular weight of 275.43 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-2-(1-oxa-9-thiaspiro[5.5]undecan-4-yl)butan-1-amine is sourced from PubChem (CID 112566962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).