2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane

C12H14ClFOS — CID 112815253

IUPAC2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane
SMILESFc1ccc(CSCC2CCCO2)c(Cl)c1
InChIInChI=1S/C12H14ClFOS/c13-12-6-10(14)4-3-9(12)7-16-8-11-2-1-5-15-11/h3-4,6,11H,1-2,5,7-8H2
InChIKeyAWPHJTHDPOEFKW-UHFFFAOYSA-N
MW260.76 g/mol
LogP3.89
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane

2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane (PubChem CID 112815253) has the molecular formula C12H14ClFOS and a molecular weight of 260.76 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane
PubChem CID112815253
Molecular FormulaC12H14ClFOS
Molecular Weight260.76 g/mol
Exact Mass260.04
IUPAC Name2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane
SMILESFc1ccc(CSCC2CCCO2)c(Cl)c1
InChIInChI=1S/C12H14ClFOS/c13-12-6-10(14)4-3-9(12)7-16-8-11-2-1-5-15-11/h3-4,6,11H,1-2,5,7-8H2
InChIKeyAWPHJTHDPOEFKW-UHFFFAOYSA-N
XLogP3.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.76
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-fluorophenyl)-3-(oxolan-2-yl)propan-2-ol
CID 62607059
N-[(2-chloro-4-fluorophenyl)methyl]-2-(oxan-2-yl)ethanamine
CID 113362834
1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-one
CID 113391239
2-chloro-5-(oxolan-2-ylmethylsulfanylmethyl)aniline
CID 106494229
4-[5-[(2-chloro-4-fluorophenyl)methylsulfanyl]-4-(oxolan-2-ylmethyl)-1,2,4-triazol-3-yl]morpholine
CID 42934871
[1-(2-chloro-4-fluorophenyl)-3-(oxan-2-yl)propan-2-yl]hydrazine
CID 105267279
12-[(2-chloro-4-fluorophenyl)methylsulfanyl]-8-(oxolan-2-ylmethyl)-5-thia-1,8,10,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,9,11-tetraen-7-one
CID 50743084
N-[[5-fluoro-2-(oxolan-2-ylmethylsulfanyl)phenyl]methyl]cyclopropanamine
CID 106496493
1-(4-fluorophenyl)-2-(oxolan-2-ylmethylsulfanyl)ethanone
CID 106495101
1-(4-fluorophenyl)-3-(oxolan-2-ylmethylsulfanyl)propan-2-one
CID 106495067
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657
(2S)-2-[[(2R)-oxolan-2-yl]methylsulfanylmethyl]oxolane
CID 129402242

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane?
The IUPAC name of 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane (CID 112815253) is 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane?
The canonical SMILES for 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane is Fc1ccc(CSCC2CCCO2)c(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane?
The InChIKey is AWPHJTHDPOEFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClFOS/c13-12-6-10(14)4-3-9(12)7-16-8-11-2-1-5-15-11/h3-4,6,11H,1-2,5,7-8H2.
What are the key properties of 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane?
2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane has a molecular weight of 260.76 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]oxolane is sourced from PubChem (CID 112815253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).