1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene

C14H21FO — CID 59329390

IUPAC1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene
SMILESCCCCCc1ccc(CCOCF)cc1
InChIInChI=1S/C14H21FO/c1-2-3-4-5-13-6-8-14(9-7-13)10-11-16-12-15/h6-9H,2-5,10-12H2,1H3
InChIKeyHBRVAGGMHBLDRY-UHFFFAOYSA-N
MW224.32 g/mol
LogP3.91
Rot. Bonds8

About 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene

1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene (PubChem CID 59329390) has the molecular formula C14H21FO and a molecular weight of 224.32 g/mol. Its IUPAC name is 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene.

Molecular Properties

Compound Name1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene
PubChem CID59329390
Molecular FormulaC14H21FO
Molecular Weight224.32 g/mol
Exact Mass224.16
IUPAC Name1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene
SMILESCCCCCc1ccc(CCOCF)cc1
InChIInChI=1S/C14H21FO/c1-2-3-4-5-13-6-8-14(9-7-13)10-11-16-12-15/h6-9H,2-5,10-12H2,1H3
InChIKeyHBRVAGGMHBLDRY-UHFFFAOYSA-N
XLogP3.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-butyl-4-nonylbenzene
CID 59545302
1-decyl-4-[(4-decylphenyl)methoxymethyl]benzene
CID 154488983
2-[2-(4-butylphenyl)ethoxy]ethanamine
CID 65300871
1-(2-methoxyethyl)-4-(4-pentylphenyl)benzene
CID 58090333
1-propyl-4-[2-[2-(4-propylphenyl)ethoxy]ethyl]benzene
CID 167637922
4-(2-pentoxyethyl)phenol
CID 67806399
2-[2-(4-octylphenyl)ethoxy]ethyl ethanesulfonate
CID 57108809
1-hexoxy-4-pentylbenzene
CID 54277450
2-pentoxyethylbenzene
CID 3022447
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
1-butyl-4-(2-phenylmethoxyethyl)benzene
CID 137452332
1-octyl-4-(4-octylphenyl)benzene
CID 22766415

Frequently Asked Questions

What is the IUPAC name of 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene?
The IUPAC name of 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene (CID 59329390) is 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene.
What is the SMILES notation for 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene?
The canonical SMILES for 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene is CCCCCc1ccc(CCOCF)cc1.
What is the InChIKey of 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene?
The InChIKey is HBRVAGGMHBLDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FO/c1-2-3-4-5-13-6-8-14(9-7-13)10-11-16-12-15/h6-9H,2-5,10-12H2,1H3.
What are the key properties of 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene?
1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene has a molecular weight of 224.32 g/mol, XLogP of 3.91, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(fluoromethoxy)ethyl]-4-pentylbenzene is sourced from PubChem (CID 59329390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).