2-methylhept-6-en-3-yl 2-fluoroacetate

C10H17FO2 — CID 174956454

IUPAC2-methylhept-6-en-3-yl 2-fluoroacetate
SMILESC=CCCC(OC(=O)CF)C(C)C
InChIInChI=1S/C10H17FO2/c1-4-5-6-9(8(2)3)13-10(12)7-11/h4,8-9H,1,5-7H2,2-3H3
InChIKeyYKNJXEPSFJHMRZ-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.49
Rot. Bonds6

About 2-methylhept-6-en-3-yl 2-fluoroacetate

2-methylhept-6-en-3-yl 2-fluoroacetate (PubChem CID 174956454) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 2-methylhept-6-en-3-yl 2-fluoroacetate.

Molecular Properties

Compound Name2-methylhept-6-en-3-yl 2-fluoroacetate
PubChem CID174956454
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name2-methylhept-6-en-3-yl 2-fluoroacetate
SMILESC=CCCC(OC(=O)CF)C(C)C
InChIInChI=1S/C10H17FO2/c1-4-5-6-9(8(2)3)13-10(12)7-11/h4,8-9H,1,5-7H2,2-3H3
InChIKeyYKNJXEPSFJHMRZ-UHFFFAOYSA-N
XLogP2.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylhept-6-en-3-yl 2-fluoroacetate?
The IUPAC name of 2-methylhept-6-en-3-yl 2-fluoroacetate (CID 174956454) is 2-methylhept-6-en-3-yl 2-fluoroacetate.
What is the SMILES notation for 2-methylhept-6-en-3-yl 2-fluoroacetate?
The canonical SMILES for 2-methylhept-6-en-3-yl 2-fluoroacetate is C=CCCC(OC(=O)CF)C(C)C.
What is the InChIKey of 2-methylhept-6-en-3-yl 2-fluoroacetate?
The InChIKey is YKNJXEPSFJHMRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-4-5-6-9(8(2)3)13-10(12)7-11/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of 2-methylhept-6-en-3-yl 2-fluoroacetate?
2-methylhept-6-en-3-yl 2-fluoroacetate has a molecular weight of 188.24 g/mol, XLogP of 2.49, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhept-6-en-3-yl 2-fluoroacetate is sourced from PubChem (CID 174956454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).