trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride

C8H6Cl2OS — CID 89411637

IUPACtrans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)[C@@H]1C[C@H]1c1ccc(Cl)s1
InChIInChI=1S/C8H6Cl2OS/c9-7-2-1-6(12-7)4-3-5(4)8(10)11/h1-2,4-5H,3H2/t4-,5-/m1/s1
InChIKeyZTUQXLVZNGECPN-RFZPGFLSSA-N
MW221.11 g/mol
LogP3.27
Rot. Bonds2

About trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride

trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride (PubChem CID 89411637) has the molecular formula C8H6Cl2OS and a molecular weight of 221.11 g/mol. Its IUPAC name is trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride
PubChem CID89411637
Molecular FormulaC8H6Cl2OS
Molecular Weight221.11 g/mol
Exact Mass219.95
IUPAC Nametrans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride
SMILESO=C(Cl)[C@@H]1C[C@H]1c1ccc(Cl)s1
InChIInChI=1S/C8H6Cl2OS/c9-7-2-1-6(12-7)4-3-5(4)8(10)11/h1-2,4-5H,3H2/t4-,5-/m1/s1
InChIKeyZTUQXLVZNGECPN-RFZPGFLSSA-N
XLogP3.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(2-ethylcyclopropyl)thiophene
CID 174655040
trans-(1R,2R)-2-(5-chlorothiophen-2-yl)-N-[(3,4-dimethyl-6-oxo-1H-pyridazin-5-yl)methyl]cyclopropane-1-carboxamide
CID 139009706
cis-(1R,2S)-2-(5-acetylthiophen-2-yl)cyclopropane-1-carboxylic acid
CID 146201487
N-[[4-[[[(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropanecarbonyl]amino]methyl]-1,3-thiazol-2-yl]methyl]benzamide
CID 139008815
lithium;trans-(1R,2R)-2-(5-bromothiophen-2-yl)cyclopropane-1-carboxylic acid;hydroxide;hydrate
CID 172858770
2-(5-chlorothiophen-2-yl)-4-methylcyclohexan-1-amine
CID 81014496
2-(4-fluorophenyl)cyclopropane-1-carbonyl chloride
CID 45081780
(3S,4S)-4-(5-chlorothiophen-2-yl)-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 70890538
N-[[2-(5-chlorothiophen-2-yl)cyclopropyl]methyl]propan-1-amine
CID 62708727
2-chloro-5-(2-methylidenecyclopropyl)thiophene
CID 123448045
trans-(2R,3R)-2-(adamantane-1-carbonyl)-3-(5-chlorothiophen-2-yl)cyclopropane-1,1-dicarbonitrile
CID 7242375
(5-chlorothiophen-2-yl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106671594

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride?
The IUPAC name of trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride (CID 89411637) is trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride.
What is the SMILES notation for trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride?
The canonical SMILES for trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride is O=C(Cl)[C@@H]1C[C@H]1c1ccc(Cl)s1.
What is the InChIKey of trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride?
The InChIKey is ZTUQXLVZNGECPN-RFZPGFLSSA-N. The full InChI is InChI=1S/C8H6Cl2OS/c9-7-2-1-6(12-7)4-3-5(4)8(10)11/h1-2,4-5H,3H2/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride?
trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride has a molecular weight of 221.11 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(5-chlorothiophen-2-yl)cyclopropane-1-carbonyl chloride is sourced from PubChem (CID 89411637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).