1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene

C14H17Cl2F — CID 107183519

IUPAC1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene
SMILESCC1CCCC1C(Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17Cl2F/c1-9-4-2-5-10(9)13(16)8-11-12(15)6-3-7-14(11)17/h3,6-7,9-10,13H,2,4-5,8H2,1H3
InChIKeyNVGNMEAMAGNQBC-UHFFFAOYSA-N
MW275.19 g/mol
LogP5.07
Rot. Bonds3

About 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene

1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene (PubChem CID 107183519) has the molecular formula C14H17Cl2F and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene
PubChem CID107183519
Molecular FormulaC14H17Cl2F
Molecular Weight275.19 g/mol
Exact Mass274.07
IUPAC Name1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene
SMILESCC1CCCC1C(Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H17Cl2F/c1-9-4-2-5-10(9)13(16)8-11-12(15)6-3-7-14(11)17/h3,6-7,9-10,13H,2,4-5,8H2,1H3
InChIKeyNVGNMEAMAGNQBC-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.19
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]-3-methyloxane
CID 114241696
4-[1-chloro-2-(2-chloro-6-fluorophenyl)ethyl]oxane
CID 63016065
2-[2-(4-tert-butylcyclohexyl)-2-chloroethyl]-1-chloro-3-fluorobenzene
CID 63518313
1-chloro-2-(2-chloropropyl)-3-fluorobenzene
CID 63016068
1-(2-chloro-6-fluorophenyl)-3-cyclopropylbutan-2-amine
CID 83153746
1-chloro-2-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63517970
2-(2-chloro-6-fluorophenyl)-1-cyclopropylethanamine
CID 61078474
1-[2-(2-chloro-6-fluorophenyl)-1-hydroxyethyl]cyclopentan-1-ol
CID 103448325
N-[2-(2-chloro-6-fluorophenyl)-1-cyclobutylethyl]propan-1-amine
CID 61079879
2-(3-chloro-2-fluorophenyl)-1-(2-methylcyclopentyl)ethanamine
CID 107191652
1-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183607
2-(2-chloro-6-fluorophenyl)-1-cyclopentyl-N-ethylethanamine
CID 61079872

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene (CID 107183519) is 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene is CC1CCCC1C(Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene?
The InChIKey is NVGNMEAMAGNQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2F/c1-9-4-2-5-10(9)13(16)8-11-12(15)6-3-7-14(11)17/h3,6-7,9-10,13H,2,4-5,8H2,1H3.
What are the key properties of 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene?
1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene has a molecular weight of 275.19 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene is sourced from PubChem (CID 107183519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).