1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene

C11H15FO — CID 15933081

IUPAC1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1cccc(F)c1
InChIInChI=1S/C11H15FO/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8H2,1-3H3
InChIKeyYOKKPBRMFAVWTQ-UHFFFAOYSA-N
MW182.24 g/mol
LogP3.14
Rot. Bonds2

About 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene

1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene (PubChem CID 15933081) has the molecular formula C11H15FO and a molecular weight of 182.24 g/mol. Its IUPAC name is 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene
PubChem CID15933081
Molecular FormulaC11H15FO
Molecular Weight182.24 g/mol
Exact Mass182.11
IUPAC Name1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene
SMILESCC(C)(C)OCc1cccc(F)c1
InChIInChI=1S/C11H15FO/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8H2,1-3H3
InChIKeyYOKKPBRMFAVWTQ-UHFFFAOYSA-N
XLogP3.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene?
The IUPAC name of 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene (CID 15933081) is 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene.
What is the SMILES notation for 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene?
The canonical SMILES for 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene is CC(C)(C)OCc1cccc(F)c1.
What is the InChIKey of 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene?
The InChIKey is YOKKPBRMFAVWTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FO/c1-11(2,3)13-8-9-5-4-6-10(12)7-9/h4-7H,8H2,1-3H3.
What are the key properties of 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene?
1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene has a molecular weight of 182.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[(2-methylpropan-2-yl)oxymethyl]benzene is sourced from PubChem (CID 15933081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).