7-fluorohept-1-yne

C7H11F — CID 9612

IUPAC7-fluorohept-1-yne
SMILESC#CCCCCCF
InChIInChI=1S/C7H11F/c1-2-3-4-5-6-7-8/h1H,3-7H2
InChIKeyRIUFVBVJZNDZOJ-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.15
Rot. Bonds4

About 7-fluorohept-1-yne

7-fluorohept-1-yne (PubChem CID 9612) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 7-fluorohept-1-yne.

Molecular Properties

Compound Name7-fluorohept-1-yne
PubChem CID9612
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name7-fluorohept-1-yne
SMILESC#CCCCCCF
InChIInChI=1S/C7H11F/c1-2-3-4-5-6-7-8/h1H,3-7H2
InChIKeyRIUFVBVJZNDZOJ-UHFFFAOYSA-N
XLogP2.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.15
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

1-Hexyne, 6-fluoro-
CID 9762
1-Octyne, 8-fluoro-
CID 9854
6-(18F)fluorohex-1-yne
CID 153694831
7,7,7-Trifluorohept-1-yne
CID 14673139
5-Fluorohex-1-yne
CID 53725644
6-Fluorohept-1-yne
CID 54135747
3,7-Difluorohept-1-yne
CID 88195970
1-Fluorohept-1-yne
CID 123609155
3-Fluoronona-1,8-diyne
CID 171059089
4-Fluorohepta-1,6-diyne
CID 175938246
4-Fluorohex-1-yne
CID 153754986
(5S)-5-fluorohept-1-yne
CID 178088463

Frequently Asked Questions

What is the IUPAC name of 7-fluorohept-1-yne?
The IUPAC name of 7-fluorohept-1-yne (CID 9612) is 7-fluorohept-1-yne.
What is the SMILES notation for 7-fluorohept-1-yne?
The canonical SMILES for 7-fluorohept-1-yne is C#CCCCCCF.
What is the InChIKey of 7-fluorohept-1-yne?
The InChIKey is RIUFVBVJZNDZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-2-3-4-5-6-7-8/h1H,3-7H2.
What are the key properties of 7-fluorohept-1-yne?
7-fluorohept-1-yne has a molecular weight of 114.16 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorohept-1-yne is sourced from PubChem (CID 9612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).