5-fluorooctan-4-ylbenzene

C14H21F — CID 173060835

IUPAC5-fluorooctan-4-ylbenzene
SMILESCCCC(F)C(CCC)c1ccccc1
InChIInChI=1S/C14H21F/c1-3-8-13(14(15)9-4-2)12-10-6-5-7-11-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3
InChIKeyRVGZIAXCDQUWIV-UHFFFAOYSA-N
MW208.32 g/mol
LogP4.71
Rot. Bonds6

About 5-fluorooctan-4-ylbenzene

5-fluorooctan-4-ylbenzene (PubChem CID 173060835) has the molecular formula C14H21F and a molecular weight of 208.32 g/mol. Its IUPAC name is 5-fluorooctan-4-ylbenzene.

Molecular Properties

Compound Name5-fluorooctan-4-ylbenzene
PubChem CID173060835
Molecular FormulaC14H21F
Molecular Weight208.32 g/mol
Exact Mass208.16
IUPAC Name5-fluorooctan-4-ylbenzene
SMILESCCCC(F)C(CCC)c1ccccc1
InChIInChI=1S/C14H21F/c1-3-8-13(14(15)9-4-2)12-10-6-5-7-11-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3
InChIKeyRVGZIAXCDQUWIV-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.32
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R)-1,2-diphenylpentan-1-ol
CID 102474717
3-phenylhexane-1,2-diol
CID 139772655
pentan-2-ylbenzene
CID 17627
2-fluoroheptan-4-ylbenzene
CID 174378334
1-phenylbutylsilane
CID 173332415
CID 19876403
CID 19876403
[(2S,3R)-2,3-difluorohexoxy]benzene
CID 97103069
4-ethylnonan-5-ylbenzene
CID 173025957
(2R,3R)-3-phenyl-2-propylpentane-1,5-diol
CID 135006728
(3-chloro-1-phenylhexan-2-yl)benzene
CID 83050932
N-ethyl-3-phenylheptan-4-amine
CID 83051533
5-methyl-3-phenyloctan-4-ol
CID 107894691

Frequently Asked Questions

What is the IUPAC name of 5-fluorooctan-4-ylbenzene?
The IUPAC name of 5-fluorooctan-4-ylbenzene (CID 173060835) is 5-fluorooctan-4-ylbenzene.
What is the SMILES notation for 5-fluorooctan-4-ylbenzene?
The canonical SMILES for 5-fluorooctan-4-ylbenzene is CCCC(F)C(CCC)c1ccccc1.
What is the InChIKey of 5-fluorooctan-4-ylbenzene?
The InChIKey is RVGZIAXCDQUWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F/c1-3-8-13(14(15)9-4-2)12-10-6-5-7-11-12/h5-7,10-11,13-14H,3-4,8-9H2,1-2H3.
What are the key properties of 5-fluorooctan-4-ylbenzene?
5-fluorooctan-4-ylbenzene has a molecular weight of 208.32 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluorooctan-4-ylbenzene is sourced from PubChem (CID 173060835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).