2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene

C14H21ClS — CID 107183538

IUPAC2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene
SMILESCC1(C)CCCCC1C(Cl)Cc1cccs1
InChIInChI=1S/C14H21ClS/c1-14(2)8-4-3-7-12(14)13(15)10-11-6-5-9-16-11/h5-6,9,12-13H,3-4,7-8,10H2,1-2H3
InChIKeyHRHFURPOZHWHQZ-UHFFFAOYSA-N
MW256.84 g/mol
LogP5.11
Rot. Bonds3

About 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene

2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene (PubChem CID 107183538) has the molecular formula C14H21ClS and a molecular weight of 256.84 g/mol. Its IUPAC name is 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene.

Molecular Properties

Compound Name2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene
PubChem CID107183538
Molecular FormulaC14H21ClS
Molecular Weight256.84 g/mol
Exact Mass256.11
IUPAC Name2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene
SMILESCC1(C)CCCCC1C(Cl)Cc1cccs1
InChIInChI=1S/C14H21ClS/c1-14(2)8-4-3-7-12(14)13(15)10-11-6-5-9-16-11/h5-6,9,12-13H,3-4,7-8,10H2,1-2H3
InChIKeyHRHFURPOZHWHQZ-UHFFFAOYSA-N
XLogP5.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.84
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethylcyclopentyl)-N-methyl-2-thiophen-2-ylethanamine
CID 107179492
1-(2,2-dimethylcyclopentyl)-2-thiophen-2-ylethanamine
CID 107179421
2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]-3-methylpyridine
CID 107186199
2-(1-chloro-2-thiophen-2-ylethyl)thiane 1,1-dioxide
CID 104522122
1-[2-chloro-2-(2,2-dimethylcyclopentyl)ethyl]-4-fluorobenzene
CID 107183554
1-methyl-N-(1-thiophen-2-ylpropan-2-yl)cyclopentan-1-amine
CID 115916040
1-(1-methoxycyclohexyl)-2-thiophen-2-ylethanol
CID 116753410
1-(1-methoxycycloheptyl)-2-thiophen-2-ylethanol
CID 116755920
2-[2-chloro-2-(3,5-dimethyl-1-adamantyl)ethyl]thiophene
CID 79999327
2-[2-(2-adamantyl)-2-chloroethyl]thiophene
CID 81095706
2-(2-chloro-3-ethylpentyl)thiophene
CID 63520573
4,4-dimethyl-N-(1-thiophen-2-ylpropan-2-yl)thian-3-amine
CID 79948426

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene?
The IUPAC name of 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene (CID 107183538) is 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene.
What is the SMILES notation for 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene?
The canonical SMILES for 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene is CC1(C)CCCCC1C(Cl)Cc1cccs1.
What is the InChIKey of 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene?
The InChIKey is HRHFURPOZHWHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClS/c1-14(2)8-4-3-7-12(14)13(15)10-11-6-5-9-16-11/h5-6,9,12-13H,3-4,7-8,10H2,1-2H3.
What are the key properties of 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene?
2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene has a molecular weight of 256.84 g/mol, XLogP of 5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2,2-dimethylcyclohexyl)ethyl]thiophene is sourced from PubChem (CID 107183538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).