1-chloro-2-cyclopentyloxy-3-fluorobenzene

C11H12ClFO — CID 130057769

IUPAC1-chloro-2-cyclopentyloxy-3-fluorobenzene
SMILESFc1cccc(Cl)c1OC1CCCC1
InChIInChI=1S/C11H12ClFO/c12-9-6-3-7-10(13)11(9)14-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyHCEYYSKUTKDIIX-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.80
Rot. Bonds2

About 1-chloro-2-cyclopentyloxy-3-fluorobenzene

1-chloro-2-cyclopentyloxy-3-fluorobenzene (PubChem CID 130057769) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-chloro-2-cyclopentyloxy-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-cyclopentyloxy-3-fluorobenzene
PubChem CID130057769
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-chloro-2-cyclopentyloxy-3-fluorobenzene
SMILESFc1cccc(Cl)c1OC1CCCC1
InChIInChI=1S/C11H12ClFO/c12-9-6-3-7-10(13)11(9)14-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2
InChIKeyHCEYYSKUTKDIIX-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(2-chloro-6-fluorophenoxy)-6-fluorophenoxy]piperidine
CID 53322027
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
1,8-dichloro-9,10-dicyclohexyloxyanthracene
CID 139930091
3-chloro-2-cycloheptyloxybenzonitrile
CID 91061195
1-chloro-3-fluoro-2-[(1R,3S)-3-(2-methylpropyl)cyclopentyl]oxybenzene
CID 178141378
4-(2,6-difluorophenoxy)piperidine;hydrochloride
CID 170912049
1-(2-cyclopentyloxy-3-fluorophenyl)-N-methylethanamine
CID 114058866
3-(2-chloro-6-fluorophenoxy)spiro[3.6]decan-1-amine
CID 83053402
N-[(3-chloro-2-cycloheptyloxyphenyl)methyl]propan-2-amine
CID 115954562
1,2-dichloro-3-cyclobutyloxybenzene
CID 130038402
3-fluoro-2-(3-methoxycyclohexyl)oxyaniline
CID 104831451
6-(2-chloro-6-fluorophenyl)bicyclo[3.1.0]hexan-6-ol
CID 79330942

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-cyclopentyloxy-3-fluorobenzene?
The IUPAC name of 1-chloro-2-cyclopentyloxy-3-fluorobenzene (CID 130057769) is 1-chloro-2-cyclopentyloxy-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-cyclopentyloxy-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-cyclopentyloxy-3-fluorobenzene is Fc1cccc(Cl)c1OC1CCCC1.
What is the InChIKey of 1-chloro-2-cyclopentyloxy-3-fluorobenzene?
The InChIKey is HCEYYSKUTKDIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-9-6-3-7-10(13)11(9)14-8-4-1-2-5-8/h3,6-8H,1-2,4-5H2.
What are the key properties of 1-chloro-2-cyclopentyloxy-3-fluorobenzene?
1-chloro-2-cyclopentyloxy-3-fluorobenzene has a molecular weight of 214.67 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-cyclopentyloxy-3-fluorobenzene is sourced from PubChem (CID 130057769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).