(5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne

C10H13F — CID 134992749

IUPAC(5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
SMILESC=C(C)C#C/C(C)=C\CCF
InChIInChI=1S/C10H13F/c1-9(2)6-7-10(3)5-4-8-11/h5H,1,4,8H2,2-3H3/b10-5-
InChIKeyPHXZRAWSCZLWNK-YHYXMXQVSA-N
MW152.21 g/mol
LogP2.87
Rot. Bonds2

About (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne

(5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne (PubChem CID 134992749) has the molecular formula C10H13F and a molecular weight of 152.21 g/mol. Its IUPAC name is (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne.

Molecular Properties

Compound Name(5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
PubChem CID134992749
Molecular FormulaC10H13F
Molecular Weight152.21 g/mol
Exact Mass152.10
IUPAC Name(5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
SMILESC=C(C)C#C/C(C)=C\CCF
InChIInChI=1S/C10H13F/c1-9(2)6-7-10(3)5-4-8-11/h5H,1,4,8H2,2-3H3/b10-5-
InChIKeyPHXZRAWSCZLWNK-YHYXMXQVSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,7-Dimethyl-3,6-octadien-1-yne
CID 53646631
(3E)-4-Ethyl-3-nonen-5-yne
CID 5368780
3,5-Dimethylhex-3-en-1-yne
CID 6366132
(E)-Pent-1-yne-3-ene, 3-ethyl-
CID 5462864
(5E)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne
CID 13757540
4-Fluoro-3-methylpent-2-ene
CID 123511146
6-Methyl-5-hepten-1-yne
CID 519983
(3Z)-3,7-Dimethyl-3,6-octadien-1-yne
CID 14496262
7,7,8,8,9,9,10,10,10-Nonafluoro-2-methyldec-2-en-5-yne
CID 139264091
(Z)-6-methyloct-5-en-1-yne
CID 10953485
3-Ethyl-pent-3-en-1-yne
CID 139716
4-Ethylnon-3-en-5-yne
CID 564545

Frequently Asked Questions

What is the IUPAC name of (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne?
The IUPAC name of (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne (CID 134992749) is (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne.
What is the SMILES notation for (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne?
The canonical SMILES for (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne is C=C(C)C#C/C(C)=C\CCF.
What is the InChIKey of (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne?
The InChIKey is PHXZRAWSCZLWNK-YHYXMXQVSA-N. The full InChI is InChI=1S/C10H13F/c1-9(2)6-7-10(3)5-4-8-11/h5H,1,4,8H2,2-3H3/b10-5-.
What are the key properties of (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne?
(5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne has a molecular weight of 152.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-8-fluoro-2,5-dimethylocta-1,5-dien-3-yne is sourced from PubChem (CID 134992749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).