[10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine

C12H22FNO — CID 170720988

IUPAC[10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine
SMILESNCC1(CF)CCCC2(CCCCO2)C1
InChIInChI=1S/C12H22FNO/c13-9-11(10-14)4-3-6-12(8-11)5-1-2-7-15-12/h1-10,14H2
InChIKeyVFQGBCBUNFTPAL-UHFFFAOYSA-N
MW215.31 g/mol
LogP2.41
Rot. Bonds2

About [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine

[10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine (PubChem CID 170720988) has the molecular formula C12H22FNO and a molecular weight of 215.31 g/mol. Its IUPAC name is [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine.

Molecular Properties

Compound Name[10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine
PubChem CID170720988
Molecular FormulaC12H22FNO
Molecular Weight215.31 g/mol
Exact Mass215.17
IUPAC Name[10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine
SMILESNCC1(CF)CCCC2(CCCCO2)C1
InChIInChI=1S/C12H22FNO/c13-9-11(10-14)4-3-6-12(8-11)5-1-2-7-15-12/h1-10,14H2
InChIKeyVFQGBCBUNFTPAL-UHFFFAOYSA-N
XLogP2.41
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine?
The IUPAC name of [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine (CID 170720988) is [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine.
What is the SMILES notation for [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine?
The canonical SMILES for [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine is NCC1(CF)CCCC2(CCCCO2)C1.
What is the InChIKey of [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine?
The InChIKey is VFQGBCBUNFTPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22FNO/c13-9-11(10-14)4-3-6-12(8-11)5-1-2-7-15-12/h1-10,14H2.
What are the key properties of [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine?
[10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine has a molecular weight of 215.31 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [10-(fluoromethyl)-1-oxaspiro[5.5]undecan-10-yl]methanamine is sourced from PubChem (CID 170720988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).