1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene

C12H13Cl2FO — CID 138485152

IUPAC1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
SMILESFC1CCC(COc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H13Cl2FO/c13-9-4-10(14)6-12(5-9)16-7-8-1-2-11(15)3-8/h4-6,8,11H,1-3,7H2
InChIKeyVMCURWICCCLWOI-UHFFFAOYSA-N
MW263.14 g/mol
LogP4.51
Rot. Bonds3

About 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene

1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene (PubChem CID 138485152) has the molecular formula C12H13Cl2FO and a molecular weight of 263.14 g/mol. Its IUPAC name is 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
PubChem CID138485152
Molecular FormulaC12H13Cl2FO
Molecular Weight263.14 g/mol
Exact Mass262.03
IUPAC Name1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene
SMILESFC1CCC(COc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C12H13Cl2FO/c13-9-4-10(14)6-12(5-9)16-7-8-1-2-11(15)3-8/h4-6,8,11H,1-3,7H2
InChIKeyVMCURWICCCLWOI-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene;ethane;methyl 5-butylthiophene-2-carboxylate
CID 143884275
[3-chloro-5-[(3-chlorocyclopentyl)methoxy]phenyl]methanol
CID 143728042
1-bromo-3-chloro-5-(cyclohexylmethoxy)benzene
CID 138985972
1-[[3-chloro-5-(cyclopropylmethoxy)phenyl]methyl]cyclopropan-1-amine
CID 117382912
1-[3-chloro-5-(cyclopropylmethoxy)phenyl]ethanone
CID 84689444
2-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxoacetic acid
CID 117389704
3-[(3-chloro-5-fluorophenoxy)methyl]azetidine
CID 154815248
[3-chloro-5-(cyclopentylmethoxy)phenyl]methanol
CID 138485153
3-[(3-chloro-5-fluorophenoxy)methyl]azetidine;hydrochloride
CID 171700439
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
(4R)-4-[(3,5-dichlorophenoxy)methyl]azetidin-2-one
CID 70971063
3-[3-chloro-5-(cyclopropylmethoxy)phenyl]propanoic acid
CID 117389863

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene?
The IUPAC name of 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene (CID 138485152) is 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene?
The canonical SMILES for 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene is FC1CCC(COc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene?
The InChIKey is VMCURWICCCLWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2FO/c13-9-4-10(14)6-12(5-9)16-7-8-1-2-11(15)3-8/h4-6,8,11H,1-3,7H2.
What are the key properties of 1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene?
1,3-dichloro-5-[(3-fluorocyclopentyl)methoxy]benzene has a molecular weight of 263.14 g/mol, XLogP of 4.51, 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-fluorocyclopentyl)methoxy]benzene is sourced from PubChem (CID 138485152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).