1-(2-fluoroethyl)-2-hexylbenzene

C14H21F — CID 141319097

IUPAC1-(2-fluoroethyl)-2-hexylbenzene
SMILESCCCCCCc1ccccc1CCF
InChIInChI=1S/C14H21F/c1-2-3-4-5-8-13-9-6-7-10-14(13)11-12-15/h6-7,9-10H,2-5,8,11-12H2,1H3
InChIKeyURSNEYGVTOTWNQ-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.32
Rot. Bonds7

About 1-(2-fluoroethyl)-2-hexylbenzene

1-(2-fluoroethyl)-2-hexylbenzene (PubChem CID 141319097) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-2-hexylbenzene.

Molecular Properties

Compound Name1-(2-fluoroethyl)-2-hexylbenzene
PubChem CID141319097
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name1-(2-fluoroethyl)-2-hexylbenzene
SMILESCCCCCCc1ccccc1CCF
InChIInChI=1S/C14H21F/c1-2-3-4-5-8-13-9-6-7-10-14(13)11-12-15/h6-7,9-10H,2-5,8,11-12H2,1H3
InChIKeyURSNEYGVTOTWNQ-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987
1,2-di(undecyl)benzene
CID 3019479
1,2-dihexylbenzene;hydrate
CID 172833093
(2-heptylphenyl)methanamine
CID 57355618
5-(2-pentylphenyl)pentan-1-amine
CID 54207535
1-ethyl-2-henicosylbenzene
CID 141174443
1,2-didecylbenzene;phosphonous acid
CID 70526437
carbonic acid;1,2-dioctylbenzene
CID 174715227
carbonic acid;1,2-dihexylbenzene
CID 174444225

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-2-hexylbenzene?
The IUPAC name of 1-(2-fluoroethyl)-2-hexylbenzene (CID 141319097) is 1-(2-fluoroethyl)-2-hexylbenzene.
What is the SMILES notation for 1-(2-fluoroethyl)-2-hexylbenzene?
The canonical SMILES for 1-(2-fluoroethyl)-2-hexylbenzene is CCCCCCc1ccccc1CCF.
What is the InChIKey of 1-(2-fluoroethyl)-2-hexylbenzene?
The InChIKey is URSNEYGVTOTWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-2-3-4-5-8-13-9-6-7-10-14(13)11-12-15/h6-7,9-10H,2-5,8,11-12H2,1H3.
What are the key properties of 1-(2-fluoroethyl)-2-hexylbenzene?
1-(2-fluoroethyl)-2-hexylbenzene has a molecular weight of 208.32 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-2-hexylbenzene is sourced from PubChem (CID 141319097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).