2-[(2,3-difluorophenyl)-fluoromethyl]thiolane

C11H11F3S — CID 174584400

IUPAC2-[(2,3-difluorophenyl)-fluoromethyl]thiolane
SMILESFc1cccc(C(F)C2CCCS2)c1F
InChIInChI=1S/C11H11F3S/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1,3-4,9,11H,2,5-6H2
InChIKeyLWKQVYJFGIQVSN-UHFFFAOYSA-N
MW232.27 g/mol
LogP3.87
Rot. Bonds2

About 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane

2-[(2,3-difluorophenyl)-fluoromethyl]thiolane (PubChem CID 174584400) has the molecular formula C11H11F3S and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)-fluoromethyl]thiolane
PubChem CID174584400
Molecular FormulaC11H11F3S
Molecular Weight232.27 g/mol
Exact Mass232.05
IUPAC Name2-[(2,3-difluorophenyl)-fluoromethyl]thiolane
SMILESFc1cccc(C(F)C2CCCS2)c1F
InChIInChI=1S/C11H11F3S/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1,3-4,9,11H,2,5-6H2
InChIKeyLWKQVYJFGIQVSN-UHFFFAOYSA-N
XLogP3.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-difluorophenyl)-(thian-2-yl)methyl]propan-1-amine
CID 80626413
(3-bromo-2-fluorophenyl)-(thiolan-2-yl)methanamine
CID 106645947
3-[(2,3-difluorophenyl)-fluoromethyl]azetidine
CID 122704793
(2,3-difluorophenyl)-(1,4-dithian-2-yl)methanol
CID 79973241
thian-2-yl-(2,3,4-trifluorophenyl)methanamine
CID 80626778
[(2-fluoro-3-methoxyphenyl)-(thiolan-2-yl)methyl]hydrazine
CID 105255403
cyclopentyl-(2,3-difluorophenyl)methanol
CID 63894572
N-[thiolan-2-yl-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 80622741
(2,3-dichlorophenyl)-(thiolan-2-yl)methanamine
CID 80623174
N-(2,3-difluorophenyl)-2-methylthian-3-amine
CID 79957761
thiolan-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 80621510
3-cyclopropyl-1-(2,3-difluorophenyl)propan-1-ol
CID 115810816

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane?
The IUPAC name of 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane (CID 174584400) is 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane.
What is the SMILES notation for 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane?
The canonical SMILES for 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane is Fc1cccc(C(F)C2CCCS2)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane?
The InChIKey is LWKQVYJFGIQVSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3S/c12-8-4-1-3-7(10(8)13)11(14)9-5-2-6-15-9/h1,3-4,9,11H,2,5-6H2.
What are the key properties of 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane?
2-[(2,3-difluorophenyl)-fluoromethyl]thiolane has a molecular weight of 232.27 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)-fluoromethyl]thiolane is sourced from PubChem (CID 174584400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).