1-(1-cyclopropylethyl)-2-fluorobenzene

C11H13F — CID 126566249

IUPAC1-(1-cyclopropylethyl)-2-fluorobenzene
SMILESCC(c1ccccc1F)C1CC1
InChIInChI=1S/C11H13F/c1-8(9-6-7-9)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3
InChIKeyDLVNRWQUNWNQOS-UHFFFAOYSA-N
MW164.22 g/mol
LogP3.34
Rot. Bonds2

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

1-(1-cyclopropylethyl)-2-fluorobenzene (PubChem CID 126566249) has the molecular formula C11H13F and a molecular weight of 164.22 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-2-fluorobenzene.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-2-fluorobenzene
PubChem CID126566249
Molecular FormulaC11H13F
Molecular Weight164.22 g/mol
Exact Mass164.10
IUPAC Name1-(1-cyclopropylethyl)-2-fluorobenzene
SMILESCC(c1ccccc1F)C1CC1
InChIInChI=1S/C11H13F/c1-8(9-6-7-9)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3
InChIKeyDLVNRWQUNWNQOS-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[1-(2-fluorophenyl)ethyl]oxane
CID 90399491
1-[bromo(cyclopropyl)methyl]-2-fluorobenzene
CID 174663726
1-(2-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)methanamine
CID 65424379
1-cyclopropyl-N-[1-(2-fluorophenyl)ethyl]propan-1-amine
CID 64918420
1-[(2S)-1,1-difluoropropan-2-yl]-2-fluorobenzene
CID 126565772
N-[2-cyclopropyl-2-(2-fluorophenyl)ethyl]-2-methylpropan-1-amine
CID 104819491
4-[1-(2-fluorophenyl)-2-methylpropyl]oxane
CID 90383596
4-[dimethylamino-(2-fluorophenyl)methyl]-N-methylcyclohexan-1-amine
CID 116907240
2-[1-(thian-4-yl)ethyl]phenol
CID 115033657
4-cyclopropyl-2-(2-fluorophenyl)-3-oxopentanenitrile
CID 83155111
2-[1-(2-fluorophenyl)ethyl]piperazine
CID 173119737
(4-ethylcyclohexyl)-(2-fluorophenyl)methanol
CID 64749746

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-2-fluorobenzene?
The IUPAC name of 1-(1-cyclopropylethyl)-2-fluorobenzene (CID 126566249) is 1-(1-cyclopropylethyl)-2-fluorobenzene.
What is the SMILES notation for 1-(1-cyclopropylethyl)-2-fluorobenzene?
The canonical SMILES for 1-(1-cyclopropylethyl)-2-fluorobenzene is CC(c1ccccc1F)C1CC1.
What is the InChIKey of 1-(1-cyclopropylethyl)-2-fluorobenzene?
The InChIKey is DLVNRWQUNWNQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F/c1-8(9-6-7-9)10-4-2-3-5-11(10)12/h2-5,8-9H,6-7H2,1H3.
What are the key properties of 1-(1-cyclopropylethyl)-2-fluorobenzene?
1-(1-cyclopropylethyl)-2-fluorobenzene has a molecular weight of 164.22 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-2-fluorobenzene is sourced from PubChem (CID 126566249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).