1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene

C10H12ClFO — CID 59627058

IUPAC1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-10(2,3)13-9-5-7(11)4-8(12)6-9/h4-6H,1-3H3
InChIKeyFWYVVTCGJGDVFW-UHFFFAOYSA-N
MW202.66 g/mol
LogP3.66
Rot. Bonds1

About 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene

1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene (PubChem CID 59627058) has the molecular formula C10H12ClFO and a molecular weight of 202.66 g/mol. Its IUPAC name is 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene
PubChem CID59627058
Molecular FormulaC10H12ClFO
Molecular Weight202.66 g/mol
Exact Mass202.06
IUPAC Name1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene
SMILESCC(C)(C)Oc1cc(F)cc(Cl)c1
InChIInChI=1S/C10H12ClFO/c1-10(2,3)13-9-5-7(11)4-8(12)6-9/h4-6H,1-3H3
InChIKeyFWYVVTCGJGDVFW-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.66
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene?
The IUPAC name of 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene (CID 59627058) is 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene.
What is the SMILES notation for 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene?
The canonical SMILES for 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene is CC(C)(C)Oc1cc(F)cc(Cl)c1.
What is the InChIKey of 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene?
The InChIKey is FWYVVTCGJGDVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFO/c1-10(2,3)13-9-5-7(11)4-8(12)6-9/h4-6H,1-3H3.
What are the key properties of 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene?
1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene has a molecular weight of 202.66 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-5-[(2-methylpropan-2-yl)oxy]benzene is sourced from PubChem (CID 59627058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).