(3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane

C9H14F2O2 — CID 135374794

IUPAC(3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C9H14F2O2/c10-8(11)7-6-12-9(13-7)4-2-1-3-5-9/h7-8H,1-6H2/t7-/m1/s1
InChIKeyNVJGFUWIXQFLJY-SSDOTTSWSA-N
MW192.20 g/mol
LogP2.33
Rot. Bonds1

About (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane

(3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 135374794) has the molecular formula C9H14F2O2 and a molecular weight of 192.20 g/mol. Its IUPAC name is (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID135374794
Molecular FormulaC9H14F2O2
Molecular Weight192.20 g/mol
Exact Mass192.10
IUPAC Name(3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane
SMILESFC(F)[C@H]1COC2(CCCCC2)O1
InChIInChI=1S/C9H14F2O2/c10-8(11)7-6-12-9(13-7)4-2-1-3-5-9/h7-8H,1-6H2/t7-/m1/s1
InChIKeyNVJGFUWIXQFLJY-SSDOTTSWSA-N
XLogP2.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.20
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane (CID 135374794) is (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane is FC(F)[C@H]1COC2(CCCCC2)O1.
What is the InChIKey of (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is NVJGFUWIXQFLJY-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H14F2O2/c10-8(11)7-6-12-9(13-7)4-2-1-3-5-9/h7-8H,1-6H2/t7-/m1/s1.
What are the key properties of (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane?
(3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 192.20 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(difluoromethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 135374794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).