1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene

C13H15Cl2FO — CID 138485146

IUPAC1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene
SMILESCC1C(F)CCC1COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2FO/c1-8-9(2-3-13(8)16)7-17-12-5-10(14)4-11(15)6-12/h4-6,8-9,13H,2-3,7H2,1H3
InChIKeyFTFSOVSLJVUKHQ-UHFFFAOYSA-N
MW277.17 g/mol
LogP4.76
Rot. Bonds3

About 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene

1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene (PubChem CID 138485146) has the molecular formula C13H15Cl2FO and a molecular weight of 277.17 g/mol. Its IUPAC name is 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene
PubChem CID138485146
Molecular FormulaC13H15Cl2FO
Molecular Weight277.17 g/mol
Exact Mass276.05
IUPAC Name1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene
SMILESCC1C(F)CCC1COc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H15Cl2FO/c1-8-9(2-3-13(8)16)7-17-12-5-10(14)4-11(15)6-12/h4-6,8-9,13H,2-3,7H2,1H3
InChIKeyFTFSOVSLJVUKHQ-UHFFFAOYSA-N
XLogP4.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.17
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene?
The IUPAC name of 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene (CID 138485146) is 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene?
The canonical SMILES for 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene is CC1C(F)CCC1COc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene?
The InChIKey is FTFSOVSLJVUKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2FO/c1-8-9(2-3-13(8)16)7-17-12-5-10(14)4-11(15)6-12/h4-6,8-9,13H,2-3,7H2,1H3.
What are the key properties of 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene?
1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene has a molecular weight of 277.17 g/mol, XLogP of 4.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[(3-fluoro-2-methylcyclopentyl)methoxy]benzene is sourced from PubChem (CID 138485146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).