1,3,5-trifluoro-2-heptylbenzene

C13H17F3 — CID 59545279

IUPAC1,3,5-trifluoro-2-heptylbenzene
SMILESCCCCCCCc1c(F)cc(F)cc1F
InChIInChI=1S/C13H17F3/c1-2-3-4-5-6-7-11-12(15)8-10(14)9-13(11)16/h8-9H,2-7H2,1H3
InChIKeyAHRXBGTWBAGUFG-UHFFFAOYSA-N
MW230.27 g/mol
LogP4.62
Rot. Bonds6

About 1,3,5-trifluoro-2-heptylbenzene

1,3,5-trifluoro-2-heptylbenzene (PubChem CID 59545279) has the molecular formula C13H17F3 and a molecular weight of 230.27 g/mol. Its IUPAC name is 1,3,5-trifluoro-2-heptylbenzene.

Molecular Properties

Compound Name1,3,5-trifluoro-2-heptylbenzene
PubChem CID59545279
Molecular FormulaC13H17F3
Molecular Weight230.27 g/mol
Exact Mass230.13
IUPAC Name1,3,5-trifluoro-2-heptylbenzene
SMILESCCCCCCCc1c(F)cc(F)cc1F
InChIInChI=1S/C13H17F3/c1-2-3-4-5-6-7-11-12(15)8-10(14)9-13(11)16/h8-9H,2-7H2,1H3
InChIKeyAHRXBGTWBAGUFG-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 54.62
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

5-bromo-1,3-difluoro-2-octylbenzene
CID 167507433
1,3-difluoro-2,5-dipentylbenzene
CID 138738043
1-(2,4,6-trifluorophenyl)tetradecan-5-yloxymethanediol
CID 150487734
2-[4-(1,1-dimethoxypropyl)dodecyl]-1,3,5-trifluorobenzene
CID 150129703
5-[4-[7-[4-(3,5-difluoro-4-pentylphenyl)phenyl]heptyl]phenyl]-1,3-difluoro-2-pentylbenzene
CID 121343129
ethyl-dimethoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174756
trihydroxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90174592
N-propan-2-yl-6-(2,4,6-trifluorophenyl)hexan-1-amine
CID 65308506
6-(2,4,6-trifluorophenyl)hexan-2-ol
CID 174718688
dihydroxy-methoxy-[6-(2,4,6-trifluorophenyl)hexyl]silane
CID 90170374
2,4-difluoro-1-pentylbenzene
CID 20770613
triethoxy-[3-(2,4,6-trifluorophenyl)propyl]silane
CID 90170863

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trifluoro-2-heptylbenzene?
The IUPAC name of 1,3,5-trifluoro-2-heptylbenzene (CID 59545279) is 1,3,5-trifluoro-2-heptylbenzene.
What is the SMILES notation for 1,3,5-trifluoro-2-heptylbenzene?
The canonical SMILES for 1,3,5-trifluoro-2-heptylbenzene is CCCCCCCc1c(F)cc(F)cc1F.
What is the InChIKey of 1,3,5-trifluoro-2-heptylbenzene?
The InChIKey is AHRXBGTWBAGUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3/c1-2-3-4-5-6-7-11-12(15)8-10(14)9-13(11)16/h8-9H,2-7H2,1H3.
What are the key properties of 1,3,5-trifluoro-2-heptylbenzene?
1,3,5-trifluoro-2-heptylbenzene has a molecular weight of 230.27 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trifluoro-2-heptylbenzene is sourced from PubChem (CID 59545279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).