1-fluorohept-1-yne

C7H11F — CID 123609155

IUPAC1-fluorohept-1-yne
SMILESCCCCCC#CF
InChIInChI=1S/C7H11F/c1-2-3-4-5-6-7-8/h2-5H2,1H3
InChIKeyUQZYEAVCXMJWQZ-UHFFFAOYSA-N
MW114.16 g/mol
LogP2.50
Rot. Bonds3

About 1-fluorohept-1-yne

1-fluorohept-1-yne (PubChem CID 123609155) has the molecular formula C7H11F and a molecular weight of 114.16 g/mol. Its IUPAC name is 1-fluorohept-1-yne.

Molecular Properties

Compound Name1-fluorohept-1-yne
PubChem CID123609155
Molecular FormulaC7H11F
Molecular Weight114.16 g/mol
Exact Mass114.08
IUPAC Name1-fluorohept-1-yne
SMILESCCCCCC#CF
InChIInChI=1S/C7H11F/c1-2-3-4-5-6-7-8/h2-5H2,1H3
InChIKeyUQZYEAVCXMJWQZ-UHFFFAOYSA-N
XLogP2.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.16
LogP ≤ 52.50
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-fluorohex-1-yne
CID 87549340
henicos-8-yne
CID 22224321
nonacos-4-yne
CID 22223961
pentacos-4-yne
CID 22223888
hept-1-ynylphosphane
CID 21095524
hexadeca-3,9-diyne
CID 54568863
hexacos-3-yne
CID 22223851
tetraconta-15,17,19,21,23,25-hexayne
CID 71342927
1,1,1-trifluoroundec-2-yne
CID 87327647
dodec-1-yn-1-ol
CID 23002297
tricos-1-yn-1-amine
CID 87460820
1-iodoundec-1-yne
CID 22678053

Frequently Asked Questions

What is the IUPAC name of 1-fluorohept-1-yne?
The IUPAC name of 1-fluorohept-1-yne (CID 123609155) is 1-fluorohept-1-yne.
What is the SMILES notation for 1-fluorohept-1-yne?
The canonical SMILES for 1-fluorohept-1-yne is CCCCCC#CF.
What is the InChIKey of 1-fluorohept-1-yne?
The InChIKey is UQZYEAVCXMJWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F/c1-2-3-4-5-6-7-8/h2-5H2,1H3.
What are the key properties of 1-fluorohept-1-yne?
1-fluorohept-1-yne has a molecular weight of 114.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohept-1-yne is sourced from PubChem (CID 123609155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).