1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene

C11H12ClF — CID 63015907

IUPAC1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene
SMILESFc1cccc(CC(Cl)C2CC2)c1
InChIInChI=1S/C11H12ClF/c12-11(9-4-5-9)7-8-2-1-3-10(13)6-8/h1-3,6,9,11H,4-5,7H2
InChIKeyLMBHTGNDKFACEG-UHFFFAOYSA-N
MW198.67 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene

1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene (PubChem CID 63015907) has the molecular formula C11H12ClF and a molecular weight of 198.67 g/mol. Its IUPAC name is 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene.

Molecular Properties

Compound Name1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene
PubChem CID63015907
Molecular FormulaC11H12ClF
Molecular Weight198.67 g/mol
Exact Mass198.06
IUPAC Name1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene
SMILESFc1cccc(CC(Cl)C2CC2)c1
InChIInChI=1S/C11H12ClF/c12-11(9-4-5-9)7-8-2-1-3-10(13)6-8/h1-3,6,9,11H,4-5,7H2
InChIKeyLMBHTGNDKFACEG-UHFFFAOYSA-N
XLogP3.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.67
LogP ≤ 53.39
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

1-(2-chloro-2-cyclopropylethyl)-3-methylbenzene
CID 63017026
1-(2-cyclopropyl-2-isocyanoethyl)-3-fluorobenzene
CID 176776905
1-(2-chloro-3-cyclohexylpropyl)-3-fluorobenzene
CID 63543352
4-[2-(3-bromophenyl)-1-chloroethyl]oxane
CID 63016306
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
1-(3-fluorophenyl)-N-methyl-3-(thian-4-yl)propan-2-amine
CID 105095850
(1-chloro-2-phenylethyl)cycloheptane
CID 63542336
1-cyclopropyl-2-[(3-fluorophenyl)methyl-methylamino]ethanol
CID 111858608
N-[1-(3-fluorophenyl)propan-2-yl]cyclopropanamine
CID 115704573
1-cyclopropyl-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 115708476
3-cyclopropyl-1-(3-fluorophenyl)-N-propylbutan-2-amine
CID 83154233
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene?
The IUPAC name of 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene (CID 63015907) is 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene.
What is the SMILES notation for 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene?
The canonical SMILES for 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene is Fc1cccc(CC(Cl)C2CC2)c1.
What is the InChIKey of 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene?
The InChIKey is LMBHTGNDKFACEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF/c12-11(9-4-5-9)7-8-2-1-3-10(13)6-8/h1-3,6,9,11H,4-5,7H2.
What are the key properties of 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene?
1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene has a molecular weight of 198.67 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-cyclopropylethyl)-3-fluorobenzene is sourced from PubChem (CID 63015907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).