[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone

C14H10ClFOS — CID 43331776

IUPAC[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc(F)c(Cl)c2)s1)C1CC1
InChIInChI=1S/C14H10ClFOS/c15-10-7-9(3-4-11(10)16)12-5-6-13(18-12)14(17)8-1-2-8/h3-8H,1-2H2
InChIKeyZBHGKJFRVXQHPA-UHFFFAOYSA-N
MW280.75 g/mol
LogP4.80
Rot. Bonds3

About [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone

[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone (PubChem CID 43331776) has the molecular formula C14H10ClFOS and a molecular weight of 280.75 g/mol. Its IUPAC name is [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone.

Molecular Properties

Compound Name[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
PubChem CID43331776
Molecular FormulaC14H10ClFOS
Molecular Weight280.75 g/mol
Exact Mass280.01
IUPAC Name[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone
SMILESO=C(c1ccc(-c2ccc(F)c(Cl)c2)s1)C1CC1
InChIInChI=1S/C14H10ClFOS/c15-10-7-9(3-4-11(10)16)12-5-6-13(18-12)14(17)8-1-2-8/h3-8H,1-2H2
InChIKeyZBHGKJFRVXQHPA-UHFFFAOYSA-N
XLogP4.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-[5-(5-methyl-3-pyridinyl)thiophen-2-yl]methanone
CID 107586193
[5-(5-chloro-2,1,3-benzothiadiazol-4-yl)thiophen-2-yl]-cyclopropylmethanone
CID 65475897
1-[5-(4-fluoro-3-methylphenyl)thiophen-2-yl]ethanone
CID 62813066
3-amino-5-(3-chloro-4-fluorophenyl)thiophene-2-carboxylic acid
CID 83034927
N-[[5-[5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]thiophen-2-yl]methyl]cyclopropanecarboxamide
CID 53126197
N-[[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43287359
1-[5-(3-bromo-4-fluorophenyl)thiophen-2-yl]ethanone
CID 104780316
[4-(4-chlorophenyl)phenyl]-cyclopropylmethanone
CID 39358836
3-[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 82542399
[4-[5-(4-chlorophenyl)thiophene-2-carbonyl]piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46413228
5-(3,4-difluorophenyl)-N-[(2R)-3,3-dimethylbutan-2-yl]thiophene-2-carboxamide
CID 92758248
1-[5-(3,5-dichlorophenyl)thiophen-2-yl]propan-1-one
CID 43363559

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone?
The IUPAC name of [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone (CID 43331776) is [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone.
What is the SMILES notation for [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone?
The canonical SMILES for [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone is O=C(c1ccc(-c2ccc(F)c(Cl)c2)s1)C1CC1.
What is the InChIKey of [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone?
The InChIKey is ZBHGKJFRVXQHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFOS/c15-10-7-9(3-4-11(10)16)12-5-6-13(18-12)14(17)8-1-2-8/h3-8H,1-2H2.
What are the key properties of [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone?
[5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone has a molecular weight of 280.75 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-fluorophenyl)thiophen-2-yl]-cyclopropylmethanone is sourced from PubChem (CID 43331776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).