1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane

C12H25FO2 — CID 167285904

IUPAC1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane
SMILESCCCC(C)COC(C)(F)COC(C)C
InChIInChI=1S/C12H25FO2/c1-6-7-11(4)8-15-12(5,13)9-14-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyIQNBOYYLKCDNHK-UHFFFAOYSA-N
MW220.33 g/mol
LogP3.55
Rot. Bonds8

About 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane

1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane (PubChem CID 167285904) has the molecular formula C12H25FO2 and a molecular weight of 220.33 g/mol. Its IUPAC name is 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane.

Molecular Properties

Compound Name1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane
PubChem CID167285904
Molecular FormulaC12H25FO2
Molecular Weight220.33 g/mol
Exact Mass220.18
IUPAC Name1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane
SMILESCCCC(C)COC(C)(F)COC(C)C
InChIInChI=1S/C12H25FO2/c1-6-7-11(4)8-15-12(5,13)9-14-10(2)3/h10-11H,6-9H2,1-5H3
InChIKeyIQNBOYYLKCDNHK-UHFFFAOYSA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane?
The IUPAC name of 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane (CID 167285904) is 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane.
What is the SMILES notation for 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane?
The canonical SMILES for 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane is CCCC(C)COC(C)(F)COC(C)C.
What is the InChIKey of 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane?
The InChIKey is IQNBOYYLKCDNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO2/c1-6-7-11(4)8-15-12(5,13)9-14-10(2)3/h10-11H,6-9H2,1-5H3.
What are the key properties of 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane?
1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane has a molecular weight of 220.33 g/mol, XLogP of 3.55, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-1-propan-2-yloxypropan-2-yl)oxy-2-methylpentane is sourced from PubChem (CID 167285904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).