2-chloro-1-fluoro-4-pentan-3-yloxybenzene

C11H14ClFO — CID 166779725

IUPAC2-chloro-1-fluoro-4-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFO/c1-3-8(4-2)14-9-5-6-11(13)10(12)7-9/h5-8H,3-4H2,1-2H3
InChIKeyKMQPFBCOOVEGIP-UHFFFAOYSA-N
MW216.68 g/mol
LogP4.05
Rot. Bonds4

About 2-chloro-1-fluoro-4-pentan-3-yloxybenzene

2-chloro-1-fluoro-4-pentan-3-yloxybenzene (PubChem CID 166779725) has the molecular formula C11H14ClFO and a molecular weight of 216.68 g/mol. Its IUPAC name is 2-chloro-1-fluoro-4-pentan-3-yloxybenzene.

Molecular Properties

Compound Name2-chloro-1-fluoro-4-pentan-3-yloxybenzene
PubChem CID166779725
Molecular FormulaC11H14ClFO
Molecular Weight216.68 g/mol
Exact Mass216.07
IUPAC Name2-chloro-1-fluoro-4-pentan-3-yloxybenzene
SMILESCCC(CC)Oc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H14ClFO/c1-3-8(4-2)14-9-5-6-11(13)10(12)7-9/h5-8H,3-4H2,1-2H3
InChIKeyKMQPFBCOOVEGIP-UHFFFAOYSA-N
XLogP4.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.68
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chloro-3-fluorophenoxy)-N-methylbutan-1-amine
CID 82727583
2-(3-chloro-4-fluorophenoxy)-3-methoxy-N-propan-2-ylpropan-1-amine
CID 103228708
2-(3-chloro-4-fluorophenoxy)butanimidamide
CID 63878136
1-chloro-3-fluoro-5-pentan-3-yloxybenzene
CID 166779713
2-chloro-4-(3-chloro-4-fluorophenoxy)-1-fluorobenzene
CID 69010329
1-chloro-4-(1-chlorobutan-2-yloxy)benzene
CID 70462784
1-[2-(3-chloro-4-fluorophenoxy)phenyl]propan-1-amine
CID 112678483
2-chloro-N'-hydroxy-4-pentan-3-yloxybenzenecarboximidamide
CID 102724420
2-(3,4-difluorophenoxy)-N-ethylbutan-1-amine
CID 62485732
2-(3-chloro-4-fluorophenoxy)-3,3,3-trifluoropropan-1-amine
CID 63879499
1,3-di(pentan-3-yloxy)benzene
CID 91386050
1-[2-chloro-6-(3-chloro-4-fluorophenoxy)phenyl]butan-2-amine
CID 63879542

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-fluoro-4-pentan-3-yloxybenzene?
The IUPAC name of 2-chloro-1-fluoro-4-pentan-3-yloxybenzene (CID 166779725) is 2-chloro-1-fluoro-4-pentan-3-yloxybenzene.
What is the SMILES notation for 2-chloro-1-fluoro-4-pentan-3-yloxybenzene?
The canonical SMILES for 2-chloro-1-fluoro-4-pentan-3-yloxybenzene is CCC(CC)Oc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-1-fluoro-4-pentan-3-yloxybenzene?
The InChIKey is KMQPFBCOOVEGIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFO/c1-3-8(4-2)14-9-5-6-11(13)10(12)7-9/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-chloro-1-fluoro-4-pentan-3-yloxybenzene?
2-chloro-1-fluoro-4-pentan-3-yloxybenzene has a molecular weight of 216.68 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-fluoro-4-pentan-3-yloxybenzene is sourced from PubChem (CID 166779725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).