[8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

C12H19F3O3 — CID 139451363

IUPAC[8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOCC1(CCC(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C12H19F3O3/c13-12(14,15)6-3-10(9-16)1-4-11(5-2-10)17-7-8-18-11/h16H,1-9H2
InChIKeyRVNCBXKQDCDDKV-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.62
Rot. Bonds3

About [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol

[8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol (PubChem CID 139451363) has the molecular formula C12H19F3O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol.

Molecular Properties

Compound Name[8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
PubChem CID139451363
Molecular FormulaC12H19F3O3
Molecular Weight268.27 g/mol
Exact Mass268.13
IUPAC Name[8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
SMILESOCC1(CCC(F)(F)F)CCC2(CC1)OCCO2
InChIInChI=1S/C12H19F3O3/c13-12(14,15)6-3-10(9-16)1-4-11(5-2-10)17-7-8-18-11/h16H,1-9H2
InChIKeyRVNCBXKQDCDDKV-UHFFFAOYSA-N
XLogP2.62
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The IUPAC name of [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol (CID 139451363) is [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol.
What is the SMILES notation for [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The canonical SMILES for [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol is OCC1(CCC(F)(F)F)CCC2(CC1)OCCO2.
What is the InChIKey of [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
The InChIKey is RVNCBXKQDCDDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O3/c13-12(14,15)6-3-10(9-16)1-4-11(5-2-10)17-7-8-18-11/h16H,1-9H2.
What are the key properties of [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol?
[8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol has a molecular weight of 268.27 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(3,3,3-trifluoropropyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol is sourced from PubChem (CID 139451363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).