1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene

C13H17FO — CID 178142257

IUPAC1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene
SMILESCCCc1ccc(OCC2(F)CC2)cc1
InChIInChI=1S/C13H17FO/c1-2-3-11-4-6-12(7-5-11)15-10-13(14)8-9-13/h4-7H,2-3,8-10H2,1H3
InChIKeyZOAYOFPXZCTQFV-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.52
Rot. Bonds5

About 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene

1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene (PubChem CID 178142257) has the molecular formula C13H17FO and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene.

Molecular Properties

Compound Name1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene
PubChem CID178142257
Molecular FormulaC13H17FO
Molecular Weight208.28 g/mol
Exact Mass208.13
IUPAC Name1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene
SMILESCCCc1ccc(OCC2(F)CC2)cc1
InChIInChI=1S/C13H17FO/c1-2-3-11-4-6-12(7-5-11)15-10-13(14)8-9-13/h4-7H,2-3,8-10H2,1H3
InChIKeyZOAYOFPXZCTQFV-UHFFFAOYSA-N
XLogP3.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[1-(bromomethyl)cyclopentyl]methoxy]-4-butylbenzene
CID 115492529
1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene
CID 178142279
ethane;1-methoxy-4-propylbenzene
CID 142085762
[1-[(4-butylphenoxy)methyl]cyclopropyl]methanethiol
CID 115493689
1-nonoxy-4-propylbenzene
CID 118632119
(4-propylphenyl) hypochlorite
CID 175330115
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
2-[(4-propylphenoxy)methyl]thiirane
CID 23058142
4,4,4-trifluoro-1-(4-propylphenoxy)butan-2-ol
CID 167828364
CID 153379110
CID 153379110
butane;1-(2-phenylethoxy)-4-propylbenzene
CID 142957775
4-[3-(4-propylphenoxy)propoxy]aniline
CID 62548380

Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene?
The IUPAC name of 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene (CID 178142257) is 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene.
What is the SMILES notation for 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene?
The canonical SMILES for 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene is CCCc1ccc(OCC2(F)CC2)cc1.
What is the InChIKey of 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene?
The InChIKey is ZOAYOFPXZCTQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO/c1-2-3-11-4-6-12(7-5-11)15-10-13(14)8-9-13/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene?
1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene has a molecular weight of 208.28 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene is sourced from PubChem (CID 178142257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).