3-fluorododec-1-yne

C12H21F — CID 11137812

IUPAC3-fluorododec-1-yne
SMILESC#CC(F)CCCCCCCCC
InChIInChI=1S/C12H21F/c1-3-5-6-7-8-9-10-11-12(13)4-2/h2,12H,3,5-11H2,1H3
InChIKeyONROEDWBWNXZKK-UHFFFAOYSA-N
MW184.30 g/mol
LogP4.10
Rot. Bonds8

About 3-fluorododec-1-yne

3-fluorododec-1-yne (PubChem CID 11137812) has the molecular formula C12H21F and a molecular weight of 184.30 g/mol. Its IUPAC name is 3-fluorododec-1-yne.

Molecular Properties

Compound Name3-fluorododec-1-yne
PubChem CID11137812
Molecular FormulaC12H21F
Molecular Weight184.30 g/mol
Exact Mass184.16
IUPAC Name3-fluorododec-1-yne
SMILESC#CC(F)CCCCCCCCC
InChIInChI=1S/C12H21F/c1-3-5-6-7-8-9-10-11-12(13)4-2/h2,12H,3,5-11H2,1H3
InChIKeyONROEDWBWNXZKK-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 54.10
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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Frequently Asked Questions

What is the IUPAC name of 3-fluorododec-1-yne?
The IUPAC name of 3-fluorododec-1-yne (CID 11137812) is 3-fluorododec-1-yne.
What is the SMILES notation for 3-fluorododec-1-yne?
The canonical SMILES for 3-fluorododec-1-yne is C#CC(F)CCCCCCCCC.
What is the InChIKey of 3-fluorododec-1-yne?
The InChIKey is ONROEDWBWNXZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F/c1-3-5-6-7-8-9-10-11-12(13)4-2/h2,12H,3,5-11H2,1H3.
What are the key properties of 3-fluorododec-1-yne?
3-fluorododec-1-yne has a molecular weight of 184.30 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluorododec-1-yne is sourced from PubChem (CID 11137812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).