1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene

C15H20ClFO — CID 178141378

IUPAC1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene
SMILESCC(C)C[C@@H]1CC[C@@H](Oc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H20ClFO/c1-10(2)8-11-6-7-12(9-11)18-15-13(16)4-3-5-14(15)17/h3-5,10-12H,6-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyBBBIYZPSQQSYKQ-NWDGAFQWSA-N
MW270.77 g/mol
LogP5.07
Rot. Bonds4

About 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene

1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene (PubChem CID 178141378) has the molecular formula C15H20ClFO and a molecular weight of 270.77 g/mol. Its IUPAC name is 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene.

Molecular Properties

Compound Name1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene
PubChem CID178141378
Molecular FormulaC15H20ClFO
Molecular Weight270.77 g/mol
Exact Mass270.12
IUPAC Name1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene
SMILESCC(C)C[C@@H]1CC[C@@H](Oc2c(F)cccc2Cl)C1
InChIInChI=1S/C15H20ClFO/c1-10(2)8-11-6-7-12(9-11)18-15-13(16)4-3-5-14(15)17/h3-5,10-12H,6-9H2,1-2H3/t11-,12+/m0/s1
InChIKeyBBBIYZPSQQSYKQ-NWDGAFQWSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.77
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene?
The IUPAC name of 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene (CID 178141378) is 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene.
What is the SMILES notation for 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene?
The canonical SMILES for 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene is CC(C)C[C@@H]1CC[C@@H](Oc2c(F)cccc2Cl)C1.
What is the InChIKey of 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene?
The InChIKey is BBBIYZPSQQSYKQ-NWDGAFQWSA-N. The full InChI is InChI=1S/C15H20ClFO/c1-10(2)8-11-6-7-12(9-11)18-15-13(16)4-3-5-14(15)17/h3-5,10-12H,6-9H2,1-2H3/t11-,12+/m0/s1.
What are the key properties of 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene?
1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene has a molecular weight of 270.77 g/mol, XLogP of 5.07, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene is sourced from PubChem (CID 178141378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).