1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene

C14H19FO — CID 178142279

IUPAC1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene
SMILESCCCc1ccc(O[C@@H](C)C2(F)CC2)cc1
InChIInChI=1S/C14H19FO/c1-3-4-12-5-7-13(8-6-12)16-11(2)14(15)9-10-14/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyJGTOPRURHDNDDE-NSHDSACASA-N
MW222.30 g/mol
LogP3.91
Rot. Bonds5

About 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene

1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene (PubChem CID 178142279) has the molecular formula C14H19FO and a molecular weight of 222.30 g/mol. Its IUPAC name is 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene.

Molecular Properties

Compound Name1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene
PubChem CID178142279
Molecular FormulaC14H19FO
Molecular Weight222.30 g/mol
Exact Mass222.14
IUPAC Name1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene
SMILESCCCc1ccc(O[C@@H](C)C2(F)CC2)cc1
InChIInChI=1S/C14H19FO/c1-3-4-12-5-7-13(8-6-12)16-11(2)14(15)9-10-14/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1
InChIKeyJGTOPRURHDNDDE-NSHDSACASA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-(1-fluorocyclopropyl)ethoxy]-4-(2-methylpropyl)benzene
CID 178142290
1-(3-methylbutan-2-yloxy)-4-propylbenzene
CID 147712786
1-[(1-fluorocyclopropyl)methoxy]-4-propylbenzene
CID 178142257
3-methyl-2-(4-propylphenoxy)butan-1-amine
CID 62548251
1-(2-bromoethyl)-4-[(2R)-pentan-2-yl]oxybenzene
CID 67001827
ethane;1-methoxy-4-propylbenzene
CID 142085762
1-[2-(2-methylpropoxy)ethoxy]-4-propylbenzene
CID 134183971
(2R)-2-(4-propylphenoxy)propanoyl chloride
CID 86712374
N-methyl-4-(4-propylphenoxy)pentan-2-amine
CID 64719800
(4-propan-2-yloxyphenyl)-(4-propylphenyl)methanol
CID 63890920
1-(difluoromethoxy)-4-(4-propylphenyl)benzene;octane
CID 161273010
3-amino-2-(4-propylphenoxy)butan-1-ol
CID 64897888

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene?
The IUPAC name of 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene (CID 178142279) is 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene.
What is the SMILES notation for 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene?
The canonical SMILES for 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene is CCCc1ccc(O[C@@H](C)C2(F)CC2)cc1.
What is the InChIKey of 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene?
The InChIKey is JGTOPRURHDNDDE-NSHDSACASA-N. The full InChI is InChI=1S/C14H19FO/c1-3-4-12-5-7-13(8-6-12)16-11(2)14(15)9-10-14/h5-8,11H,3-4,9-10H2,1-2H3/t11-/m0/s1.
What are the key properties of 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene?
1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene has a molecular weight of 222.30 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(1-fluorocyclopropyl)ethoxy]-4-propylbenzene is sourced from PubChem (CID 178142279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).