2-fluorohept-1-en-3-ylbenzene

C13H17F — CID 102089822

IUPAC2-fluorohept-1-en-3-ylbenzene
SMILESC=C(F)C(CCCC)c1ccccc1
InChIInChI=1S/C13H17F/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9,13H,2-4,10H2,1H3
InChIKeyUODUWPWPAAYRBI-UHFFFAOYSA-N
MW192.28 g/mol
LogP4.44
Rot. Bonds5

About 2-fluorohept-1-en-3-ylbenzene

2-fluorohept-1-en-3-ylbenzene (PubChem CID 102089822) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 2-fluorohept-1-en-3-ylbenzene.

Molecular Properties

Compound Name2-fluorohept-1-en-3-ylbenzene
PubChem CID102089822
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name2-fluorohept-1-en-3-ylbenzene
SMILESC=C(F)C(CCCC)c1ccccc1
InChIInChI=1S/C13H17F/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9,13H,2-4,10H2,1H3
InChIKeyUODUWPWPAAYRBI-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S)-1-phenylpentan-1-ol
CID 6992754
2-(3-phenylheptan-2-ylidene)propanedinitrile
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methyl 2-methylidene-3-phenyldecanoate
CID 54497429
2-phenylheptanamide
CID 67221214
heptyl 2-phenylhexanoate
CID 67351180
butan-2-one;N-methyl-2-phenylhexanamide
CID 143353676
ethane;pentan-2-one;3-phenylheptan-2-one
CID 143360194
2-phenyloctadecanoyl chloride
CID 154195260
ethane;(3S)-3-phenyloctan-2-one;propane
CID 143356286
2-phenyloctadecanoate
CID 22742145
10-phenyltetradecan-5-ylbenzene
CID 22891787
(1Z,3E)-4-ethenyl-5-phenylnona-1,3-dien-1-amine
CID 88534907

Frequently Asked Questions

What is the IUPAC name of 2-fluorohept-1-en-3-ylbenzene?
The IUPAC name of 2-fluorohept-1-en-3-ylbenzene (CID 102089822) is 2-fluorohept-1-en-3-ylbenzene.
What is the SMILES notation for 2-fluorohept-1-en-3-ylbenzene?
The canonical SMILES for 2-fluorohept-1-en-3-ylbenzene is C=C(F)C(CCCC)c1ccccc1.
What is the InChIKey of 2-fluorohept-1-en-3-ylbenzene?
The InChIKey is UODUWPWPAAYRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F/c1-3-4-10-13(11(2)14)12-8-6-5-7-9-12/h5-9,13H,2-4,10H2,1H3.
What are the key properties of 2-fluorohept-1-en-3-ylbenzene?
2-fluorohept-1-en-3-ylbenzene has a molecular weight of 192.28 g/mol, XLogP of 4.44, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluorohept-1-en-3-ylbenzene is sourced from PubChem (CID 102089822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).