(3S)-3-fluoroundec-1-yne

C11H19F — CID 101471251

IUPAC(3S)-3-fluoroundec-1-yne
SMILESC#C[C@@H](F)CCCCCCCC
InChIInChI=1S/C11H19F/c1-3-5-6-7-8-9-10-11(12)4-2/h2,11H,3,5-10H2,1H3/t11-/m1/s1
InChIKeyMYEXTZGDMUHSQW-LLVKDONJSA-N
MW170.27 g/mol
LogP3.71
Rot. Bonds7

About (3S)-3-fluoroundec-1-yne

(3S)-3-fluoroundec-1-yne (PubChem CID 101471251) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is (3S)-3-fluoroundec-1-yne.

Molecular Properties

Compound Name(3S)-3-fluoroundec-1-yne
PubChem CID101471251
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name(3S)-3-fluoroundec-1-yne
SMILESC#C[C@@H](F)CCCCCCCC
InChIInChI=1S/C11H19F/c1-3-5-6-7-8-9-10-11(12)4-2/h2,11H,3,5-10H2,1H3/t11-/m1/s1
InChIKeyMYEXTZGDMUHSQW-LLVKDONJSA-N
XLogP3.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.71
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 (3S)-3-fluoroundec-1-yne?
The IUPAC name of (3S)-3-fluoroundec-1-yne (CID 101471251) is (3S)-3-fluoroundec-1-yne.
What is the SMILES notation for (3S)-3-fluoroundec-1-yne?
The canonical SMILES for (3S)-3-fluoroundec-1-yne is C#C[C@@H](F)CCCCCCCC.
What is the InChIKey of (3S)-3-fluoroundec-1-yne?
The InChIKey is MYEXTZGDMUHSQW-LLVKDONJSA-N. The full InChI is InChI=1S/C11H19F/c1-3-5-6-7-8-9-10-11(12)4-2/h2,11H,3,5-10H2,1H3/t11-/m1/s1.
What are the key properties of (3S)-3-fluoroundec-1-yne?
(3S)-3-fluoroundec-1-yne has a molecular weight of 170.27 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoroundec-1-yne is sourced from PubChem (CID 101471251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).