2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane

C15H20ClFO — CID 170062784

IUPAC2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane
SMILESCC(C)Cc1ccc(Cl)c(F)c1CC1CCCO1
InChIInChI=1S/C15H20ClFO/c1-10(2)8-11-5-6-14(16)15(17)13(11)9-12-4-3-7-18-12/h5-6,10,12H,3-4,7-9H2,1-2H3
InChIKeyCWBGKSPTJKKRJJ-UHFFFAOYSA-N
MW270.77 g/mol
LogP4.40
Rot. Bonds4

About 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane

2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane (PubChem CID 170062784) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane.

Molecular Properties

Compound Name2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane
PubChem CID170062784
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane
SMILESCC(C)Cc1ccc(Cl)c(F)c1CC1CCCO1
InChIInChI=1S/C15H20ClFO/c1-10(2)8-11-5-6-14(16)15(17)13(11)9-12-4-3-7-18-12/h5-6,10,12H,3-4,7-9H2,1-2H3
InChIKeyCWBGKSPTJKKRJJ-UHFFFAOYSA-N
XLogP4.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.77
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 11644089
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CID 20084058
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1-Chloro-2-fluoro-4-[4-(2-propoxyethyl)cyclohexyl]benzene
CID 20084119
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CID 20084124
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Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane?
The IUPAC name of 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane (CID 170062784) is 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane.
What is the SMILES notation for 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane?
The canonical SMILES for 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane is CC(C)Cc1ccc(Cl)c(F)c1CC1CCCO1.
What is the InChIKey of 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane?
The InChIKey is CWBGKSPTJKKRJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-10(2)8-11-5-6-14(16)15(17)13(11)9-12-4-3-7-18-12/h5-6,10,12H,3-4,7-9H2,1-2H3.
What are the key properties of 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane?
2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane has a molecular weight of 270.77 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-2-fluoro-6-(2-methylpropyl)phenyl]methyl]oxolane is sourced from PubChem (CID 170062784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).