11,11-difluoroundec-1-yne

C11H18F2 — CID 154708447

IUPAC11,11-difluoroundec-1-yne
SMILESC#CCCCCCCCCC(F)F
InChIInChI=1S/C11H18F2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,11H,3-10H2
InChIKeyKYCWHRCCNRCLNB-UHFFFAOYSA-N
MW188.26 g/mol
LogP4.01
Rot. Bonds8

About 11,11-difluoroundec-1-yne

11,11-difluoroundec-1-yne (PubChem CID 154708447) has the molecular formula C11H18F2 and a molecular weight of 188.26 g/mol. Its IUPAC name is 11,11-difluoroundec-1-yne.

Molecular Properties

Compound Name11,11-difluoroundec-1-yne
PubChem CID154708447
Molecular FormulaC11H18F2
Molecular Weight188.26 g/mol
Exact Mass188.14
IUPAC Name11,11-difluoroundec-1-yne
SMILESC#CCCCCCCCCC(F)F
InChIInChI=1S/C11H18F2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,11H,3-10H2
InChIKeyKYCWHRCCNRCLNB-UHFFFAOYSA-N
XLogP4.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.26
LogP ≤ 54.01
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 11,11-difluoroundec-1-yne?
The IUPAC name of 11,11-difluoroundec-1-yne (CID 154708447) is 11,11-difluoroundec-1-yne.
What is the SMILES notation for 11,11-difluoroundec-1-yne?
The canonical SMILES for 11,11-difluoroundec-1-yne is C#CCCCCCCCCC(F)F.
What is the InChIKey of 11,11-difluoroundec-1-yne?
The InChIKey is KYCWHRCCNRCLNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h1,11H,3-10H2.
What are the key properties of 11,11-difluoroundec-1-yne?
11,11-difluoroundec-1-yne has a molecular weight of 188.26 g/mol, XLogP of 4.01, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-difluoroundec-1-yne is sourced from PubChem (CID 154708447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).