(6S)-6-(fluoromethyl)-5-methyloct-3-yne

C10H17F — CID 89345410

IUPAC(6S)-6-(fluoromethyl)-5-methyloct-3-yne
SMILESCCC#CC(C)[C@H](CC)CF
InChIInChI=1S/C10H17F/c1-4-6-7-9(3)10(5-2)8-11/h9-10H,4-5,8H2,1-3H3/t9?,10-/m1/s1
InChIKeyMYLDOXBYPTYPBZ-QVDQXJPCSA-N
MW156.24 g/mol
LogP3.03
Rot. Bonds3

About (6S)-6-(fluoromethyl)-5-methyloct-3-yne

(6S)-6-(fluoromethyl)-5-methyloct-3-yne (PubChem CID 89345410) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is (6S)-6-(fluoromethyl)-5-methyloct-3-yne.

Molecular Properties

Compound Name(6S)-6-(fluoromethyl)-5-methyloct-3-yne
PubChem CID89345410
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name(6S)-6-(fluoromethyl)-5-methyloct-3-yne
SMILESCCC#CC(C)[C@H](CC)CF
InChIInChI=1S/C10H17F/c1-4-6-7-9(3)10(5-2)8-11/h9-10H,4-5,8H2,1-3H3/t9?,10-/m1/s1
InChIKeyMYLDOXBYPTYPBZ-QVDQXJPCSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-(fluoromethyl)-5-methyloct-3-yne?
The IUPAC name of (6S)-6-(fluoromethyl)-5-methyloct-3-yne (CID 89345410) is (6S)-6-(fluoromethyl)-5-methyloct-3-yne.
What is the SMILES notation for (6S)-6-(fluoromethyl)-5-methyloct-3-yne?
The canonical SMILES for (6S)-6-(fluoromethyl)-5-methyloct-3-yne is CCC#CC(C)[C@H](CC)CF.
What is the InChIKey of (6S)-6-(fluoromethyl)-5-methyloct-3-yne?
The InChIKey is MYLDOXBYPTYPBZ-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H17F/c1-4-6-7-9(3)10(5-2)8-11/h9-10H,4-5,8H2,1-3H3/t9?,10-/m1/s1.
What are the key properties of (6S)-6-(fluoromethyl)-5-methyloct-3-yne?
(6S)-6-(fluoromethyl)-5-methyloct-3-yne has a molecular weight of 156.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-(fluoromethyl)-5-methyloct-3-yne is sourced from PubChem (CID 89345410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).