but-1-yne;1-fluoro-3-pentylbenzene

C15H21F — CID 174779976

IUPACbut-1-yne;1-fluoro-3-pentylbenzene
SMILESC#CCC.CCCCCc1cccc(F)c1
InChIInChI=1S/C11H15F.C4H6/c1-2-3-4-6-10-7-5-8-11(12)9-10;1-3-4-2/h5,7-9H,2-4,6H2,1H3;1H,4H2,2H3
InChIKeyRIAAFKOKHRSAMT-UHFFFAOYSA-N
MW220.33 g/mol
LogP4.59
Rot. Bonds4

About but-1-yne;1-fluoro-3-pentylbenzene

but-1-yne;1-fluoro-3-pentylbenzene (PubChem CID 174779976) has the molecular formula C15H21F and a molecular weight of 220.33 g/mol. Its IUPAC name is but-1-yne;1-fluoro-3-pentylbenzene.

Molecular Properties

Compound Namebut-1-yne;1-fluoro-3-pentylbenzene
PubChem CID174779976
Molecular FormulaC15H21F
Molecular Weight220.33 g/mol
Exact Mass220.16
IUPAC Namebut-1-yne;1-fluoro-3-pentylbenzene
SMILESC#CCC.CCCCCc1cccc(F)c1
InChIInChI=1S/C11H15F.C4H6/c1-2-3-4-6-10-7-5-8-11(12)9-10;1-3-4-2/h5,7-9H,2-4,6H2,1H3;1H,4H2,2H3
InChIKeyRIAAFKOKHRSAMT-UHFFFAOYSA-N
XLogP4.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.33
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

acetylene;1-butyl-3-fluorobenzene
CID 142913636
1,3-dipentylbenzene;fluorobenzene
CID 174957175
acetic acid;1-fluoro-3-pentylbenzene;guanidine
CID 174775989
1,3-di(tetradecyl)benzene
CID 91053224
2-(3-fluorophenyl)ethanamine;undecan-1-amine
CID 158185766
1-fluoro-3-[7-(triethoxymethyl)pentadecyl]benzene
CID 172751050
1-fluoro-3-[(4-hexylphenoxy)methyl]benzene
CID 123640981
6-(3-fluorophenyl)hexan-1-amine
CID 95437731
1-[5-[di(propan-2-yloxy)methoxy]tetradecyl]-3-fluorobenzene
CID 151769004
6-(3-fluorophenyl)hexan-3-ol
CID 64515590
diethoxy-[6-(3-fluorophenyl)hexyl]-hydroxysilane
CID 90170541
3-pentylaniline
CID 19911390

Frequently Asked Questions

What is the IUPAC name of but-1-yne;1-fluoro-3-pentylbenzene?
The IUPAC name of but-1-yne;1-fluoro-3-pentylbenzene (CID 174779976) is but-1-yne;1-fluoro-3-pentylbenzene.
What is the SMILES notation for but-1-yne;1-fluoro-3-pentylbenzene?
The canonical SMILES for but-1-yne;1-fluoro-3-pentylbenzene is C#CCC.CCCCCc1cccc(F)c1.
What is the InChIKey of but-1-yne;1-fluoro-3-pentylbenzene?
The InChIKey is RIAAFKOKHRSAMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F.C4H6/c1-2-3-4-6-10-7-5-8-11(12)9-10;1-3-4-2/h5,7-9H,2-4,6H2,1H3;1H,4H2,2H3.
What are the key properties of but-1-yne;1-fluoro-3-pentylbenzene?
but-1-yne;1-fluoro-3-pentylbenzene has a molecular weight of 220.33 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-yne;1-fluoro-3-pentylbenzene is sourced from PubChem (CID 174779976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).