1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene

C12H13F3O — CID 167514172

IUPAC1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene
SMILESFc1cc(OC2CCCC2)cc(C(F)F)c1
InChIInChI=1S/C12H13F3O/c13-9-5-8(12(14)15)6-11(7-9)16-10-3-1-2-4-10/h5-7,10,12H,1-4H2
InChIKeyLYJNJBPZOXCJFV-UHFFFAOYSA-N
MW230.23 g/mol
LogP4.08
Rot. Bonds3

About 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene

1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene (PubChem CID 167514172) has the molecular formula C12H13F3O and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene
PubChem CID167514172
Molecular FormulaC12H13F3O
Molecular Weight230.23 g/mol
Exact Mass230.09
IUPAC Name1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene
SMILESFc1cc(OC2CCCC2)cc(C(F)F)c1
InChIInChI=1S/C12H13F3O/c13-9-5-8(12(14)15)6-11(7-9)16-10-3-1-2-4-10/h5-7,10,12H,1-4H2
InChIKeyLYJNJBPZOXCJFV-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene?
The IUPAC name of 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene (CID 167514172) is 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene.
What is the SMILES notation for 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene?
The canonical SMILES for 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene is Fc1cc(OC2CCCC2)cc(C(F)F)c1.
What is the InChIKey of 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene?
The InChIKey is LYJNJBPZOXCJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3O/c13-9-5-8(12(14)15)6-11(7-9)16-10-3-1-2-4-10/h5-7,10,12H,1-4H2.
What are the key properties of 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene?
1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene has a molecular weight of 230.23 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyloxy-3-(difluoromethyl)-5-fluorobenzene is sourced from PubChem (CID 167514172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).