fluorobenzene;1-hexoxyhexane

C18H31FO — CID 174664464

IUPACfluorobenzene;1-hexoxyhexane
SMILESCCCCCCOCCCCCC.Fc1ccccc1
InChIInChI=1S/C12H26O.C6H5F/c1-3-5-7-9-11-13-12-10-8-6-4-2;7-6-4-2-1-3-5-6/h3-12H2,1-2H3;1-5H
InChIKeyNRTSURKDXNXZGW-UHFFFAOYSA-N
MW282.44 g/mol
LogP5.99
Rot. Bonds10

About fluorobenzene;1-hexoxyhexane

fluorobenzene;1-hexoxyhexane (PubChem CID 174664464) has the molecular formula C18H31FO and a molecular weight of 282.44 g/mol. Its IUPAC name is fluorobenzene;1-hexoxyhexane.

Molecular Properties

Compound Namefluorobenzene;1-hexoxyhexane
PubChem CID174664464
Molecular FormulaC18H31FO
Molecular Weight282.44 g/mol
Exact Mass282.24
IUPAC Namefluorobenzene;1-hexoxyhexane
SMILESCCCCCCOCCCCCC.Fc1ccccc1
InChIInChI=1S/C12H26O.C6H5F/c1-3-5-7-9-11-13-12-10-8-6-4-2;7-6-4-2-1-3-5-6/h3-12H2,1-2H3;1-5H
InChIKeyNRTSURKDXNXZGW-UHFFFAOYSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.44
LogP ≤ 55.99
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

fluorobenzene;hexane
CID 158112243
3-decoxypropylbenzene
CID 150065328
4-octadecoxybutylbenzene
CID 70977182
5-pentoxypentylbenzene
CID 19046566
N-(12-dodecoxydodecyl)aniline
CID 54486065
4-heptoxybutylbenzene;methane
CID 158099440
2-dodecoxyethoxybenzene
CID 67831231
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-[2-[2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxybenzene
CID 22762214
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924

Frequently Asked Questions

What is the IUPAC name of fluorobenzene;1-hexoxyhexane?
The IUPAC name of fluorobenzene;1-hexoxyhexane (CID 174664464) is fluorobenzene;1-hexoxyhexane.
What is the SMILES notation for fluorobenzene;1-hexoxyhexane?
The canonical SMILES for fluorobenzene;1-hexoxyhexane is CCCCCCOCCCCCC.Fc1ccccc1.
What is the InChIKey of fluorobenzene;1-hexoxyhexane?
The InChIKey is NRTSURKDXNXZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26O.C6H5F/c1-3-5-7-9-11-13-12-10-8-6-4-2;7-6-4-2-1-3-5-6/h3-12H2,1-2H3;1-5H.
What are the key properties of fluorobenzene;1-hexoxyhexane?
fluorobenzene;1-hexoxyhexane has a molecular weight of 282.44 g/mol, XLogP of 5.99, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for fluorobenzene;1-hexoxyhexane is sourced from PubChem (CID 174664464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).