(2,4-difluorophenyl)-(thietan-3-yl)methanone

C10H8F2OS — CID 164657486

IUPAC(2,4-difluorophenyl)-(thietan-3-yl)methanone
SMILESO=C(c1ccc(F)cc1F)C1CSC1
InChIInChI=1S/C10H8F2OS/c11-7-1-2-8(9(12)3-7)10(13)6-4-14-5-6/h1-3,6H,4-5H2
InChIKeyVKLVHXLNNOWSQE-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.51
Rot. Bonds2

About (2,4-difluorophenyl)-(thietan-3-yl)methanone

(2,4-difluorophenyl)-(thietan-3-yl)methanone (PubChem CID 164657486) has the molecular formula C10H8F2OS and a molecular weight of 214.24 g/mol. Its IUPAC name is (2,4-difluorophenyl)-(thietan-3-yl)methanone.

Molecular Properties

Compound Name(2,4-difluorophenyl)-(thietan-3-yl)methanone
PubChem CID164657486
Molecular FormulaC10H8F2OS
Molecular Weight214.24 g/mol
Exact Mass214.03
IUPAC Name(2,4-difluorophenyl)-(thietan-3-yl)methanone
SMILESO=C(c1ccc(F)cc1F)C1CSC1
InChIInChI=1S/C10H8F2OS/c11-7-1-2-8(9(12)3-7)10(13)6-4-14-5-6/h1-3,6H,4-5H2
InChIKeyVKLVHXLNNOWSQE-UHFFFAOYSA-N
XLogP2.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3-(2,4-difluorobenzoyl)cyclopentan-1-one
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(2,4-difluorophenyl)-piperidin-3-ylmethanone
CID 24689284
(2,4-difluorophenyl)-(6-oxa-2-thiaspiro[4.5]decan-9-yl)methanone
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(5-fluoro-2-methoxyphenyl)-(thiolan-3-yl)methanone
CID 105125105
(2-amino-5-fluorophenyl)-(thiolan-3-yl)methanone
CID 105483112
(2,4-difluorophenyl)-(1,4-dioxan-2-yl)methanone
CID 62799546
(2,4-difluorophenyl)-(2-methylcyclopentyl)methanone
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2,4-difluorobenzoyl bromide
CID 87349807
2,4-difluorobenzamide;dihydrochloride
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cyclobutyl-[2-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 175669824

Frequently Asked Questions

What is the IUPAC name of (2,4-difluorophenyl)-(thietan-3-yl)methanone?
The IUPAC name of (2,4-difluorophenyl)-(thietan-3-yl)methanone (CID 164657486) is (2,4-difluorophenyl)-(thietan-3-yl)methanone.
What is the SMILES notation for (2,4-difluorophenyl)-(thietan-3-yl)methanone?
The canonical SMILES for (2,4-difluorophenyl)-(thietan-3-yl)methanone is O=C(c1ccc(F)cc1F)C1CSC1.
What is the InChIKey of (2,4-difluorophenyl)-(thietan-3-yl)methanone?
The InChIKey is VKLVHXLNNOWSQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2OS/c11-7-1-2-8(9(12)3-7)10(13)6-4-14-5-6/h1-3,6H,4-5H2.
What are the key properties of (2,4-difluorophenyl)-(thietan-3-yl)methanone?
(2,4-difluorophenyl)-(thietan-3-yl)methanone has a molecular weight of 214.24 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-difluorophenyl)-(thietan-3-yl)methanone is sourced from PubChem (CID 164657486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).