[(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone

C14H16Cl2OS — CID 10851942

IUPAC[(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone
SMILESCC1(C)[C@](C)(C=C(Cl)Cl)[C@@]1(C)C(=O)c1cccs1
InChIInChI=1S/C14H16Cl2OS/c1-12(2)13(3,8-10(15)16)14(12,4)11(17)9-6-5-7-18-9/h5-8H,1-4H3/t13-,14-/m0/s1
InChIKeyLEZXJEOFIDGXPH-KBPBESRZSA-N
MW303.25 g/mol
LogP5.30
Rot. Bonds3

About [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone

[(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone (PubChem CID 10851942) has the molecular formula C14H16Cl2OS and a molecular weight of 303.25 g/mol. Its IUPAC name is [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone
PubChem CID10851942
Molecular FormulaC14H16Cl2OS
Molecular Weight303.25 g/mol
Exact Mass302.03
IUPAC Name[(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone
SMILESCC1(C)[C@](C)(C=C(Cl)Cl)[C@@]1(C)C(=O)c1cccs1
InChIInChI=1S/C14H16Cl2OS/c1-12(2)13(3,8-10(15)16)14(12,4)11(17)9-6-5-7-18-9/h5-8H,1-4H3/t13-,14-/m0/s1
InChIKeyLEZXJEOFIDGXPH-KBPBESRZSA-N
XLogP5.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.25
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

(1,2,3,4,5-pentamethylcyclopenta-2,4-dien-1-yl)-thiophen-2-ylmethanone
CID 134978135
thiophene-2-carbonyl chloride;thiophene-2-carboxylic acid
CID 122587949
(E)-but-2-enedioic acid;thiophene-2-carboxylic acid
CID 172841521
2-thiophen-2-ylprop-2-enoyl chloride
CID 22601205
(E)-3-chloro-3-thiophen-2-ylprop-2-enal
CID 79002205
[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethanone
CID 79067610
(Z)-3-chloro-4,4-dimethyl-1-thiophen-2-ylpent-2-en-1-one
CID 154635046
1-(thiophene-2-carbonyl)cyclopropane-1-carboxylic acid
CID 116920934
(2-methylpiperidin-2-yl)-thiophen-2-ylmethanone
CID 116614225
(1-methoxycyclobutyl)-thiophen-2-ylmethanone
CID 116707010
2-oxo-2-thiophen-2-ylacetaldehyde
CID 5272214
(E)-1-thiophen-2-ylbut-2-en-1-one
CID 5385859

Frequently Asked Questions

What is the IUPAC name of [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone?
The IUPAC name of [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone (CID 10851942) is [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone?
The canonical SMILES for [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone is CC1(C)[C@](C)(C=C(Cl)Cl)[C@@]1(C)C(=O)c1cccs1.
What is the InChIKey of [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone?
The InChIKey is LEZXJEOFIDGXPH-KBPBESRZSA-N. The full InChI is InChI=1S/C14H16Cl2OS/c1-12(2)13(3,8-10(15)16)14(12,4)11(17)9-6-5-7-18-9/h5-8H,1-4H3/t13-,14-/m0/s1.
What are the key properties of [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone?
[(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone has a molecular weight of 303.25 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S)-2-(2,2-dichloroethenyl)-1,2,3,3-tetramethylcyclopropyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 10851942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).