4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran

C13H16ClFO — CID 167223295

IUPAC4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran
SMILESCCC(F)CC1Oc2cccc(Cl)c2C1C
InChIInChI=1S/C13H16ClFO/c1-3-9(15)7-12-8(2)13-10(14)5-4-6-11(13)16-12/h4-6,8-9,12H,3,7H2,1-2H3
InChIKeyZQQDHXRJPQAMPI-UHFFFAOYSA-N
MW242.72 g/mol
LogP4.34
Rot. Bonds3

About 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran

4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran (PubChem CID 167223295) has the molecular formula C13H16ClFO and a molecular weight of 242.72 g/mol. Its IUPAC name is 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran
PubChem CID167223295
Molecular FormulaC13H16ClFO
Molecular Weight242.72 g/mol
Exact Mass242.09
IUPAC Name4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran
SMILESCCC(F)CC1Oc2cccc(Cl)c2C1C
InChIInChI=1S/C13H16ClFO/c1-3-9(15)7-12-8(2)13-10(14)5-4-6-11(13)16-12/h4-6,8-9,12H,3,7H2,1-2H3
InChIKeyZQQDHXRJPQAMPI-UHFFFAOYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.72
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Methyl-2,3-dihydro-1-benzofuran
CID 576907
3-Chloro-2-methylanisole
CID 76749
5-Chloro-2,3-dihydro-1-benzofuran
CID 592964
Benzene, 1,1'-oxybis-, monochloro mono(2-methylpropyl) deriv.
CID 172551
1-Chloro-3-methoxy-2-(trifluoromethyl)benzene
CID 90926660
5-Chloro-2-methyl-2,3-dihydro-1-benzofuran
CID 597779
2,3-Dihydro-3-(1-methylethyl)benzofuran
CID 10964832
3-Ethyl-2,3-dihydrobenzofuran
CID 11094780
2-Ethyl-3-methyl-2,3-dihydrobenzofuran
CID 12705306
6-Chloro-2,2-dimethyl-2,3-dihydro-1-benzofuran
CID 13333889
2-n-Butyl-2,3-dihydrobenzofuran
CID 13728725
(s)-3-Methyl-2,3-dihydrobenzo[d]furan
CID 15939192

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran?
The IUPAC name of 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran (CID 167223295) is 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran is CCC(F)CC1Oc2cccc(Cl)c2C1C.
What is the InChIKey of 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran?
The InChIKey is ZQQDHXRJPQAMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClFO/c1-3-9(15)7-12-8(2)13-10(14)5-4-6-11(13)16-12/h4-6,8-9,12H,3,7H2,1-2H3.
What are the key properties of 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran?
4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran has a molecular weight of 242.72 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-fluorobutyl)-3-methyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 167223295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).