3-[(2R)-butan-2-yl]-3-fluorocyclohexene

C10H17F — CID 89096493

IUPAC3-[(2R)-butan-2-yl]-3-fluorocyclohexene
SMILESCC[C@@H](C)C1(F)C=CCCC1
InChIInChI=1S/C10H17F/c1-3-9(2)10(11)7-5-4-6-8-10/h5,7,9H,3-4,6,8H2,1-2H3/t9-,10?/m1/s1
InChIKeyGGNPLKWFKIGSCA-YHMJZVADSA-N
MW156.24 g/mol
LogP3.48
Rot. Bonds2

About 3-[(2R)-butan-2-yl]-3-fluorocyclohexene

3-[(2R)-butan-2-yl]-3-fluorocyclohexene (PubChem CID 89096493) has the molecular formula C10H17F and a molecular weight of 156.24 g/mol. Its IUPAC name is 3-[(2R)-butan-2-yl]-3-fluorocyclohexene.

Molecular Properties

Compound Name3-[(2R)-butan-2-yl]-3-fluorocyclohexene
PubChem CID89096493
Molecular FormulaC10H17F
Molecular Weight156.24 g/mol
Exact Mass156.13
IUPAC Name3-[(2R)-butan-2-yl]-3-fluorocyclohexene
SMILESCC[C@@H](C)C1(F)C=CCCC1
InChIInChI=1S/C10H17F/c1-3-9(2)10(11)7-5-4-6-8-10/h5,7,9H,3-4,6,8H2,1-2H3/t9-,10?/m1/s1
InChIKeyGGNPLKWFKIGSCA-YHMJZVADSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.24
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 3-[(2R)-butan-2-yl]-3-fluorocyclohexene?
The IUPAC name of 3-[(2R)-butan-2-yl]-3-fluorocyclohexene (CID 89096493) is 3-[(2R)-butan-2-yl]-3-fluorocyclohexene.
What is the SMILES notation for 3-[(2R)-butan-2-yl]-3-fluorocyclohexene?
The canonical SMILES for 3-[(2R)-butan-2-yl]-3-fluorocyclohexene is CC[C@@H](C)C1(F)C=CCCC1.
What is the InChIKey of 3-[(2R)-butan-2-yl]-3-fluorocyclohexene?
The InChIKey is GGNPLKWFKIGSCA-YHMJZVADSA-N. The full InChI is InChI=1S/C10H17F/c1-3-9(2)10(11)7-5-4-6-8-10/h5,7,9H,3-4,6,8H2,1-2H3/t9-,10?/m1/s1.
What are the key properties of 3-[(2R)-butan-2-yl]-3-fluorocyclohexene?
3-[(2R)-butan-2-yl]-3-fluorocyclohexene has a molecular weight of 156.24 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-butan-2-yl]-3-fluorocyclohexene is sourced from PubChem (CID 89096493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).