(2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane

C16H29F — CID 126738537

IUPAC(2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane
SMILESCC/C(C)=C(\C)C[C@H](F)C(C)[C@H]1CCC1(C)C
InChIInChI=1S/C16H29F/c1-7-11(2)12(3)10-15(17)13(4)14-8-9-16(14,5)6/h13-15H,7-10H2,1-6H3/b12-11+/t13?,14-,15+/m1/s1
InChIKeyNFVUPURKLISCGO-DICFQYPUSA-N
MW240.41 g/mol
LogP5.53
Rot. Bonds5

About (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane

(2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane (PubChem CID 126738537) has the molecular formula C16H29F and a molecular weight of 240.41 g/mol. Its IUPAC name is (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane.

Molecular Properties

Compound Name(2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane
PubChem CID126738537
Molecular FormulaC16H29F
Molecular Weight240.41 g/mol
Exact Mass240.23
IUPAC Name(2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane
SMILESCC/C(C)=C(\C)C[C@H](F)C(C)[C@H]1CCC1(C)C
InChIInChI=1S/C16H29F/c1-7-11(2)12(3)10-15(17)13(4)14-8-9-16(14,5)6/h13-15H,7-10H2,1-6H3/b12-11+/t13?,14-,15+/m1/s1
InChIKeyNFVUPURKLISCGO-DICFQYPUSA-N
XLogP5.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500240.41
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane?
The IUPAC name of (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane (CID 126738537) is (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane.
What is the SMILES notation for (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane?
The canonical SMILES for (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane is CC/C(C)=C(\C)C[C@H](F)C(C)[C@H]1CCC1(C)C.
What is the InChIKey of (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane?
The InChIKey is NFVUPURKLISCGO-DICFQYPUSA-N. The full InChI is InChI=1S/C16H29F/c1-7-11(2)12(3)10-15(17)13(4)14-8-9-16(14,5)6/h13-15H,7-10H2,1-6H3/b12-11+/t13?,14-,15+/m1/s1.
What are the key properties of (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane?
(2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane has a molecular weight of 240.41 g/mol, XLogP of 5.53, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E,3S)-3-fluoro-5,6-dimethyloct-5-en-2-yl]-1,1-dimethylcyclobutane is sourced from PubChem (CID 126738537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).