3-chloro-3-[(3-fluorophenyl)methyl]thietane

C10H10ClFS — CID 123208925

IUPAC3-chloro-3-[(3-fluorophenyl)methyl]thietane
SMILESFc1cccc(CC2(Cl)CSC2)c1
InChIInChI=1S/C10H10ClFS/c11-10(6-13-7-10)5-8-2-1-3-9(12)4-8/h1-4H,5-7H2
InChIKeyHVJIOXYHYFQIRL-UHFFFAOYSA-N
MW216.71 g/mol
LogP3.09
Rot. Bonds2

About 3-chloro-3-[(3-fluorophenyl)methyl]thietane

3-chloro-3-[(3-fluorophenyl)methyl]thietane (PubChem CID 123208925) has the molecular formula C10H10ClFS and a molecular weight of 216.71 g/mol. Its IUPAC name is 3-chloro-3-[(3-fluorophenyl)methyl]thietane.

Molecular Properties

Compound Name3-chloro-3-[(3-fluorophenyl)methyl]thietane
PubChem CID123208925
Molecular FormulaC10H10ClFS
Molecular Weight216.71 g/mol
Exact Mass216.02
IUPAC Name3-chloro-3-[(3-fluorophenyl)methyl]thietane
SMILESFc1cccc(CC2(Cl)CSC2)c1
InChIInChI=1S/C10H10ClFS/c11-10(6-13-7-10)5-8-2-1-3-9(12)4-8/h1-4H,5-7H2
InChIKeyHVJIOXYHYFQIRL-UHFFFAOYSA-N
XLogP3.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

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4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine
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2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazinane
CID 114834360
3-chloro-4-[(3-fluorophenyl)methyl]thiolane
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1-[(3-fluorophenyl)methyl]cyclohexane-1-carbonitrile
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1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
4-(bromomethyl)-4-[(3-fluorophenyl)methyl]oxane
CID 66049299
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
(3-fluorophenyl)methanolate
CID 101198036
(3-fluorophenyl)methyl-dimethylsulfanium
CID 139727514
2-chloro-N-[1-[(3-fluorophenyl)methyl]cyclopropyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-chloro-3-[(3-fluorophenyl)methyl]thietane?
The IUPAC name of 3-chloro-3-[(3-fluorophenyl)methyl]thietane (CID 123208925) is 3-chloro-3-[(3-fluorophenyl)methyl]thietane.
What is the SMILES notation for 3-chloro-3-[(3-fluorophenyl)methyl]thietane?
The canonical SMILES for 3-chloro-3-[(3-fluorophenyl)methyl]thietane is Fc1cccc(CC2(Cl)CSC2)c1.
What is the InChIKey of 3-chloro-3-[(3-fluorophenyl)methyl]thietane?
The InChIKey is HVJIOXYHYFQIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFS/c11-10(6-13-7-10)5-8-2-1-3-9(12)4-8/h1-4H,5-7H2.
What are the key properties of 3-chloro-3-[(3-fluorophenyl)methyl]thietane?
3-chloro-3-[(3-fluorophenyl)methyl]thietane has a molecular weight of 216.71 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-3-[(3-fluorophenyl)methyl]thietane is sourced from PubChem (CID 123208925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).