7-fluoro-1-hexyl-2-benzofuran

C14H17FO — CID 91572357

IUPAC7-fluoro-1-hexyl-2-benzofuran
SMILESCCCCCCc1occ2cccc(F)c12
InChIInChI=1S/C14H17FO/c1-2-3-4-5-9-13-14-11(10-16-13)7-6-8-12(14)15/h6-8,10H,2-5,9H2,1H3
InChIKeyLCQBHZYTOJMAOP-UHFFFAOYSA-N
MW220.29 g/mol
LogP4.69
Rot. Bonds5

About 7-fluoro-1-hexyl-2-benzofuran

7-fluoro-1-hexyl-2-benzofuran (PubChem CID 91572357) has the molecular formula C14H17FO and a molecular weight of 220.29 g/mol. Its IUPAC name is 7-fluoro-1-hexyl-2-benzofuran.

Molecular Properties

Compound Name7-fluoro-1-hexyl-2-benzofuran
PubChem CID91572357
Molecular FormulaC14H17FO
Molecular Weight220.29 g/mol
Exact Mass220.13
IUPAC Name7-fluoro-1-hexyl-2-benzofuran
SMILESCCCCCCc1occ2cccc(F)c12
InChIInChI=1S/C14H17FO/c1-2-3-4-5-9-13-14-11(10-16-13)7-6-8-12(14)15/h6-8,10H,2-5,9H2,1H3
InChIKeyLCQBHZYTOJMAOP-UHFFFAOYSA-N
XLogP4.69
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.29
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 7-fluoro-1-hexyl-2-benzofuran with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-hexyl-2-benzofuran
CID 57181539
7-fluoro-1-methyl-2-benzofuran
CID 67274988
1-fluoro-2-heptylbenzene
CID 20721019
1-fluoro-2,3-dioctylbenzene
CID 67729666
1,3-di(tetradecyl)benzene
CID 91053224
2,6-didodecylpyridine
CID 90943274
1-tetradecylnaphthalene
CID 14402128
2-decyl-1-benzofuran
CID 15365265
1-fluoro-2-pentyl-3-propan-2-ylbenzene
CID 173336304
7-pentyl-1-benzofuran
CID 90916397
1-hexadecylpyrene
CID 12966317
5-fluoro-2-hexadecoxy-3,1-benzoxazin-4-one
CID 22992194

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-hexyl-2-benzofuran?
The IUPAC name of 7-fluoro-1-hexyl-2-benzofuran (CID 91572357) is 7-fluoro-1-hexyl-2-benzofuran.
What is the SMILES notation for 7-fluoro-1-hexyl-2-benzofuran?
The canonical SMILES for 7-fluoro-1-hexyl-2-benzofuran is CCCCCCc1occ2cccc(F)c12.
What is the InChIKey of 7-fluoro-1-hexyl-2-benzofuran?
The InChIKey is LCQBHZYTOJMAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO/c1-2-3-4-5-9-13-14-11(10-16-13)7-6-8-12(14)15/h6-8,10H,2-5,9H2,1H3.
What are the key properties of 7-fluoro-1-hexyl-2-benzofuran?
7-fluoro-1-hexyl-2-benzofuran has a molecular weight of 220.29 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-hexyl-2-benzofuran is sourced from PubChem (CID 91572357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).