(3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone

C9H9FO2S — CID 130594538

IUPAC(3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone
SMILESO=C(c1sccc1F)C1CCOC1
InChIInChI=1S/C9H9FO2S/c10-7-2-4-13-9(7)8(11)6-1-3-12-5-6/h2,4,6H,1,3,5H2
InChIKeyBCAIGWSBLJDANI-UHFFFAOYSA-N
MW200.23 g/mol
LogP2.11
Rot. Bonds2

About (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone

(3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone (PubChem CID 130594538) has the molecular formula C9H9FO2S and a molecular weight of 200.23 g/mol. Its IUPAC name is (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone
PubChem CID130594538
Molecular FormulaC9H9FO2S
Molecular Weight200.23 g/mol
Exact Mass200.03
IUPAC Name(3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone
SMILESO=C(c1sccc1F)C1CCOC1
InChIInChI=1S/C9H9FO2S/c10-7-2-4-13-9(7)8(11)6-1-3-12-5-6/h2,4,6H,1,3,5H2
InChIKeyBCAIGWSBLJDANI-UHFFFAOYSA-N
XLogP2.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-bromo-3,4-difluorophenyl)-(oxolan-3-yl)methanone
CID 107538180
(4-fluoro-2-methylphenyl)-(oxolan-3-yl)methanone
CID 65330614
(2-fluoro-4,6-dimethylphenyl)-(oxolan-3-yl)methanone
CID 106880808
(3-chlorothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784618
ethane;3-fluorothiophene-2-carboxylic acid
CID 142472741
(4-bromothiophen-3-yl)-(oxolan-3-yl)methanone
CID 79596493
oxolan-3-yl(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 61272773
(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-(oxolan-3-yl)methanone
CID 61272983
(3-iodophenyl)-(oxolan-3-yl)methanone
CID 114972035
oxolan-3-yl-(3,4,5-trimethyl-1H-pyrrol-2-yl)methanone
CID 63927265
oxolan-3-yl-(4-thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)methanone
CID 126776319
oxan-4-yl-(2,4,5-trifluorophenyl)methanone
CID 103301496

Frequently Asked Questions

What is the IUPAC name of (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone?
The IUPAC name of (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone (CID 130594538) is (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone is O=C(c1sccc1F)C1CCOC1.
What is the InChIKey of (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone?
The InChIKey is BCAIGWSBLJDANI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO2S/c10-7-2-4-13-9(7)8(11)6-1-3-12-5-6/h2,4,6H,1,3,5H2.
What are the key properties of (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone?
(3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone has a molecular weight of 200.23 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorothiophen-2-yl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 130594538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).