1-cyclopropyl-3-fluoro-2-propylbenzene

C12H15F — CID 143129340

IUPAC1-cyclopropyl-3-fluoro-2-propylbenzene
SMILESCCCc1c(F)cccc1C1CC1
InChIInChI=1S/C12H15F/c1-2-4-11-10(9-7-8-9)5-3-6-12(11)13/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyGUDVCSCJTZKTPC-UHFFFAOYSA-N
MW178.25 g/mol
LogP3.66
Rot. Bonds3

About 1-cyclopropyl-3-fluoro-2-propylbenzene

1-cyclopropyl-3-fluoro-2-propylbenzene (PubChem CID 143129340) has the molecular formula C12H15F and a molecular weight of 178.25 g/mol. Its IUPAC name is 1-cyclopropyl-3-fluoro-2-propylbenzene.

Molecular Properties

Compound Name1-cyclopropyl-3-fluoro-2-propylbenzene
PubChem CID143129340
Molecular FormulaC12H15F
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name1-cyclopropyl-3-fluoro-2-propylbenzene
SMILESCCCc1c(F)cccc1C1CC1
InChIInChI=1S/C12H15F/c1-2-4-11-10(9-7-8-9)5-3-6-12(11)13/h3,5-6,9H,2,4,7-8H2,1H3
InChIKeyGUDVCSCJTZKTPC-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

4-[3-fluoro-2-(3-fluoropropyl)phenyl]-1-methylpiperidine
CID 70262177
3-(oxan-4-yl)-2-propylaniline
CID 156732824
CID 160803924
CID 160803924
2-cyclopropyl-6-fluorobenzaldehyde
CID 87091239
1-ethenyl-3-fluoro-2-propylbenzene
CID 66613054
1-[4-(bromomethyl)cyclohexyl]-2-fluorobenzene
CID 177244846
1,3-difluoro-2-[2-(4-pentylcyclohexyl)ethyl]benzene
CID 54557681
2-[4-(2,3-difluorophenyl)cyclohexyl]ethanol
CID 139792996
7,12-difluoro-2-propyltricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene
CID 20642739
5-[2-(2,6-difluorophenyl)ethyl]-1,3-dimethoxy-2-propylbenzene
CID 154123495
2-(2-ethyl-3-fluorophenyl)-1,3-dioxolane
CID 169081956
1-(4-ethenylcyclohexyl)-2-fluoro-4-propylbenzene
CID 71422815

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-fluoro-2-propylbenzene?
The IUPAC name of 1-cyclopropyl-3-fluoro-2-propylbenzene (CID 143129340) is 1-cyclopropyl-3-fluoro-2-propylbenzene.
What is the SMILES notation for 1-cyclopropyl-3-fluoro-2-propylbenzene?
The canonical SMILES for 1-cyclopropyl-3-fluoro-2-propylbenzene is CCCc1c(F)cccc1C1CC1.
What is the InChIKey of 1-cyclopropyl-3-fluoro-2-propylbenzene?
The InChIKey is GUDVCSCJTZKTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F/c1-2-4-11-10(9-7-8-9)5-3-6-12(11)13/h3,5-6,9H,2,4,7-8H2,1H3.
What are the key properties of 1-cyclopropyl-3-fluoro-2-propylbenzene?
1-cyclopropyl-3-fluoro-2-propylbenzene has a molecular weight of 178.25 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-fluoro-2-propylbenzene is sourced from PubChem (CID 143129340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).