1-fluorohex-1-yne

C6H9F — CID 87549340

IUPAC1-fluorohex-1-yne
SMILESCCCCC#CF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h2-4H2,1H3
InChIKeyQVVUPSXPNOWLCI-UHFFFAOYSA-N
MW100.14 g/mol
LogP2.11
Rot. Bonds2

About 1-fluorohex-1-yne

1-fluorohex-1-yne (PubChem CID 87549340) has the molecular formula C6H9F and a molecular weight of 100.14 g/mol. Its IUPAC name is 1-fluorohex-1-yne.

Molecular Properties

Compound Name1-fluorohex-1-yne
PubChem CID87549340
Molecular FormulaC6H9F
Molecular Weight100.14 g/mol
Exact Mass100.07
IUPAC Name1-fluorohex-1-yne
SMILESCCCCC#CF
InChIInChI=1S/C6H9F/c1-2-3-4-5-6-7/h2-4H2,1H3
InChIKeyQVVUPSXPNOWLCI-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.14
LogP ≤ 52.11
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-fluorohept-1-yne
CID 123609155
pentadeca-5,10-diyne
CID 15530767
tetradeca-4,9-diyne
CID 173328648
(Hex-1-yn-1-yl)silane
CID 13112953
methane;bis(oct-3-yne)
CID 159540057
cobalt;hept-2-yne
CID 174831630
hex-1-yn-1-amine
CID 15451863
henicos-8-yne
CID 22224321
CID 90985110
CID 90985110
dodeca-4,7-diyne
CID 173074460
trideca-2,8-diyne
CID 90921383
oct-3-yne-1-thiol
CID 150444004

Frequently Asked Questions

What is the IUPAC name of 1-fluorohex-1-yne?
The IUPAC name of 1-fluorohex-1-yne (CID 87549340) is 1-fluorohex-1-yne.
What is the SMILES notation for 1-fluorohex-1-yne?
The canonical SMILES for 1-fluorohex-1-yne is CCCCC#CF.
What is the InChIKey of 1-fluorohex-1-yne?
The InChIKey is QVVUPSXPNOWLCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F/c1-2-3-4-5-6-7/h2-4H2,1H3.
What are the key properties of 1-fluorohex-1-yne?
1-fluorohex-1-yne has a molecular weight of 100.14 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorohex-1-yne is sourced from PubChem (CID 87549340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).