4-(2-fluoropropan-2-yl)-4-propan-2-yloxane

C11H21FO — CID 174263036

IUPAC4-(2-fluoropropan-2-yl)-4-propan-2-yloxane
SMILESCC(C)C1(C(C)(C)F)CCOCC1
InChIInChI=1S/C11H21FO/c1-9(2)11(10(3,4)12)5-7-13-8-6-11/h9H,5-8H2,1-4H3
InChIKeyJSMRKQLNKLEOAN-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.19
Rot. Bonds2

About 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane

4-(2-fluoropropan-2-yl)-4-propan-2-yloxane (PubChem CID 174263036) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane.

Molecular Properties

Compound Name4-(2-fluoropropan-2-yl)-4-propan-2-yloxane
PubChem CID174263036
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name4-(2-fluoropropan-2-yl)-4-propan-2-yloxane
SMILESCC(C)C1(C(C)(C)F)CCOCC1
InChIInChI=1S/C11H21FO/c1-9(2)11(10(3,4)12)5-7-13-8-6-11/h9H,5-8H2,1-4H3
InChIKeyJSMRKQLNKLEOAN-UHFFFAOYSA-N
XLogP3.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane?
The IUPAC name of 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane (CID 174263036) is 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane.
What is the SMILES notation for 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane?
The canonical SMILES for 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane is CC(C)C1(C(C)(C)F)CCOCC1.
What is the InChIKey of 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane?
The InChIKey is JSMRKQLNKLEOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-9(2)11(10(3,4)12)5-7-13-8-6-11/h9H,5-8H2,1-4H3.
What are the key properties of 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane?
4-(2-fluoropropan-2-yl)-4-propan-2-yloxane has a molecular weight of 188.29 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoropropan-2-yl)-4-propan-2-yloxane is sourced from PubChem (CID 174263036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).