1-fluoro-2-heptylbenzene

C13H19F — CID 20721019

IUPAC1-fluoro-2-heptylbenzene
SMILESCCCCCCCc1ccccc1F
InChIInChI=1S/C13H19F/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11H,2-6,9H2,1H3
InChIKeyRZVWPJSWJDPYCJ-UHFFFAOYSA-N
MW194.29 g/mol
LogP4.34
Rot. Bonds6

About 1-fluoro-2-heptylbenzene

1-fluoro-2-heptylbenzene (PubChem CID 20721019) has the molecular formula C13H19F and a molecular weight of 194.29 g/mol. Its IUPAC name is 1-fluoro-2-heptylbenzene.

Molecular Properties

Compound Name1-fluoro-2-heptylbenzene
PubChem CID20721019
Molecular FormulaC13H19F
Molecular Weight194.29 g/mol
Exact Mass194.15
IUPAC Name1-fluoro-2-heptylbenzene
SMILESCCCCCCCc1ccccc1F
InChIInChI=1S/C13H19F/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11H,2-6,9H2,1H3
InChIKeyRZVWPJSWJDPYCJ-UHFFFAOYSA-N
XLogP4.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.29
LogP ≤ 54.34
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

1,3-difluorobenzene;1-fluoro-2-hexylbenzene;methoxymethane
CID 174924769
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-fluoro-2,3-dioctylbenzene
CID 67729666
1,2-dihexylbenzene;hydrate
CID 172833093
1-fluoro-2-(2-pentoxyethyl)benzene
CID 91695654
N-[2-(2-fluorophenyl)ethyl]pentan-1-amine
CID 28576989
1-(2-fluoroethyl)-2-hexylbenzene
CID 141319097
5-(2-pentylphenyl)pentan-1-amine
CID 54207535

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-heptylbenzene?
The IUPAC name of 1-fluoro-2-heptylbenzene (CID 20721019) is 1-fluoro-2-heptylbenzene.
What is the SMILES notation for 1-fluoro-2-heptylbenzene?
The canonical SMILES for 1-fluoro-2-heptylbenzene is CCCCCCCc1ccccc1F.
What is the InChIKey of 1-fluoro-2-heptylbenzene?
The InChIKey is RZVWPJSWJDPYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F/c1-2-3-4-5-6-9-12-10-7-8-11-13(12)14/h7-8,10-11H,2-6,9H2,1H3.
What are the key properties of 1-fluoro-2-heptylbenzene?
1-fluoro-2-heptylbenzene has a molecular weight of 194.29 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-heptylbenzene is sourced from PubChem (CID 20721019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).