2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene

C11H21FO — CID 123729444

IUPAC2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene
SMILESCCC(C)C(C)C=C(C)OCCF
InChIInChI=1S/C11H21FO/c1-5-9(2)10(3)8-11(4)13-7-6-12/h8-10H,5-7H2,1-4H3
InChIKeyKRWFAACDOPBZEA-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.56
Rot. Bonds6

About 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene

2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene (PubChem CID 123729444) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene.

Molecular Properties

Compound Name2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene
PubChem CID123729444
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene
SMILESCCC(C)C(C)C=C(C)OCCF
InChIInChI=1S/C11H21FO/c1-5-9(2)10(3)8-11(4)13-7-6-12/h8-10H,5-7H2,1-4H3
InChIKeyKRWFAACDOPBZEA-UHFFFAOYSA-N
XLogP3.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(6S)-1,4-difluoro-6-methyl-5-[[(E)-pent-2-en-2-yl]oxymethyl]cyclohexene
CID 70355407
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CID 89247476
2,3-Dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene
CID 91235536
(4R,5S)-4-fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 122448719
2-(1-Fluoroethoxy)-7,8-dimethylnon-2-ene
CID 123166155
4,5-Dimethyl-2-(trifluoromethoxy)oct-2-ene
CID 123447482
4-Fluoro-5-methyl-1-propan-2-yloxycyclohexene
CID 130216765
2-Fluoro-6-methoxy-3-methyl-4-propan-2-yl-1lambda3-iodacyclohepta-5,7-diene
CID 163529704
(4Z,7E)-9-ethenyl-10,10-diethyl-7-fluoro-2,3,6,9-tetrahydrooxecine
CID 143112825
2,3,4,6-tetramethyl-3,4-dihydro-2H-pyran
CID 20651676
3,6-di(propan-2-yl)-3,4-dihydro-2H-pyran
CID 58987606
6-ethyl-2,3,4-trimethyl-3,4-dihydro-2H-pyran
CID 68224206

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene?
The IUPAC name of 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene (CID 123729444) is 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene.
What is the SMILES notation for 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene?
The canonical SMILES for 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene is CCC(C)C(C)C=C(C)OCCF.
What is the InChIKey of 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene?
The InChIKey is KRWFAACDOPBZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-5-9(2)10(3)8-11(4)13-7-6-12/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene?
2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene has a molecular weight of 188.29 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethoxy)-4,5-dimethylhept-2-ene is sourced from PubChem (CID 123729444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).