(2S)-2-fluoronon-3-yne

C9H15F — CID 134934273

IUPAC(2S)-2-fluoronon-3-yne
SMILESCCCCCC#C[C@H](C)F
InChIInChI=1S/C9H15F/c1-3-4-5-6-7-8-9(2)10/h9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyCCULMVUBXGFFQW-VIFPVBQESA-N
MW142.22 g/mol
LogP2.93
Rot. Bonds3

About (2S)-2-fluoronon-3-yne

(2S)-2-fluoronon-3-yne (PubChem CID 134934273) has the molecular formula C9H15F and a molecular weight of 142.22 g/mol. Its IUPAC name is (2S)-2-fluoronon-3-yne.

Molecular Properties

Compound Name(2S)-2-fluoronon-3-yne
PubChem CID134934273
Molecular FormulaC9H15F
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name(2S)-2-fluoronon-3-yne
SMILESCCCCCC#C[C@H](C)F
InChIInChI=1S/C9H15F/c1-3-4-5-6-7-8-9(2)10/h9H,3-6H2,1-2H3/t9-/m0/s1
InChIKeyCCULMVUBXGFFQW-VIFPVBQESA-N
XLogP2.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 52.93
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 (2S)-2-fluoronon-3-yne?
The IUPAC name of (2S)-2-fluoronon-3-yne (CID 134934273) is (2S)-2-fluoronon-3-yne.
What is the SMILES notation for (2S)-2-fluoronon-3-yne?
The canonical SMILES for (2S)-2-fluoronon-3-yne is CCCCCC#C[C@H](C)F.
What is the InChIKey of (2S)-2-fluoronon-3-yne?
The InChIKey is CCULMVUBXGFFQW-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15F/c1-3-4-5-6-7-8-9(2)10/h9H,3-6H2,1-2H3/t9-/m0/s1.
What are the key properties of (2S)-2-fluoronon-3-yne?
(2S)-2-fluoronon-3-yne has a molecular weight of 142.22 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-fluoronon-3-yne is sourced from PubChem (CID 134934273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).