(1-fluoro-2-propan-2-yloxypropan-2-yl)benzene

C12H17FO — CID 14897876

IUPAC(1-fluoro-2-propan-2-yloxypropan-2-yl)benzene
SMILESCC(C)OC(C)(CF)c1ccccc1
InChIInChI=1S/C12H17FO/c1-10(2)14-12(3,9-13)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyIDBOUJFRNJTLAO-UHFFFAOYSA-N
MW196.26 g/mol
LogP3.30
Rot. Bonds4

About (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene

(1-fluoro-2-propan-2-yloxypropan-2-yl)benzene (PubChem CID 14897876) has the molecular formula C12H17FO and a molecular weight of 196.26 g/mol. Its IUPAC name is (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene.

Molecular Properties

Compound Name(1-fluoro-2-propan-2-yloxypropan-2-yl)benzene
PubChem CID14897876
Molecular FormulaC12H17FO
Molecular Weight196.26 g/mol
Exact Mass196.13
IUPAC Name(1-fluoro-2-propan-2-yloxypropan-2-yl)benzene
SMILESCC(C)OC(C)(CF)c1ccccc1
InChIInChI=1S/C12H17FO/c1-10(2)14-12(3,9-13)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3
InChIKeyIDBOUJFRNJTLAO-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.26
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene?
The IUPAC name of (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene (CID 14897876) is (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene.
What is the SMILES notation for (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene?
The canonical SMILES for (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene is CC(C)OC(C)(CF)c1ccccc1.
What is the InChIKey of (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene?
The InChIKey is IDBOUJFRNJTLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO/c1-10(2)14-12(3,9-13)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3.
What are the key properties of (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene?
(1-fluoro-2-propan-2-yloxypropan-2-yl)benzene has a molecular weight of 196.26 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-fluoro-2-propan-2-yloxypropan-2-yl)benzene is sourced from PubChem (CID 14897876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).