1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene

C11H12ClFO — CID 82727266

IUPAC1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
SMILESFc1cc(OCCC2CC2)ccc1Cl
InChIInChI=1S/C11H12ClFO/c12-10-4-3-9(7-11(10)13)14-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2
InChIKeyZOKJBEACEQYUQJ-UHFFFAOYSA-N
MW214.67 g/mol
LogP3.66
Rot. Bonds4

About 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene

1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene (PubChem CID 82727266) has the molecular formula C11H12ClFO and a molecular weight of 214.67 g/mol. Its IUPAC name is 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene.

Molecular Properties

Compound Name1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
PubChem CID82727266
Molecular FormulaC11H12ClFO
Molecular Weight214.67 g/mol
Exact Mass214.06
IUPAC Name1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene
SMILESFc1cc(OCCC2CC2)ccc1Cl
InChIInChI=1S/C11H12ClFO/c12-10-4-3-9(7-11(10)13)14-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2
InChIKeyZOKJBEACEQYUQJ-UHFFFAOYSA-N
XLogP3.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.67
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 82707034
[4-(2-cyclohexylethoxy)-2-fluorophenyl]borane
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1-chloro-2-fluoro-4-(4,4,4-trifluorobutoxy)benzene
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N-[3-(4-chloro-3-fluorophenoxy)propyl]cyclopentanamine
CID 82727453
1-chloro-2-fluoro-4-(3-methoxypropoxy)benzene
CID 82727335
1-[2-(4-chloro-3-fluorophenoxy)ethyl]pyrrolidine
CID 82727267
CID 19039083
CID 19039083
N-[2-(4-chloro-3-fluorophenoxy)ethyl]oxan-4-amine
CID 82727303
2-chloro-4-(cyclopropylmethoxy)-1-fluorobenzene
CID 130693986
1-chloro-4-(2-ethylsulfanylethoxy)-2-fluorobenzene
CID 115899258
4-(2-azidoethoxy)-1-chloro-2-fluorobenzene
CID 82716995
(2S)-2-[(4-chloro-3-fluorophenoxy)methyl]pyrrolidine
CID 102820220

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene?
The IUPAC name of 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene (CID 82727266) is 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene.
What is the SMILES notation for 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene?
The canonical SMILES for 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene is Fc1cc(OCCC2CC2)ccc1Cl.
What is the InChIKey of 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene?
The InChIKey is ZOKJBEACEQYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClFO/c12-10-4-3-9(7-11(10)13)14-6-5-8-1-2-8/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene?
1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene has a molecular weight of 214.67 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(2-cyclopropylethoxy)-2-fluorobenzene is sourced from PubChem (CID 82727266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).