1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene

C16H21F — CID 134964331

IUPAC1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene
SMILESCC(C)(C)C1C=C(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H21F/c1-16(2,3)14-6-4-5-13(11-14)12-7-9-15(17)10-8-12/h7-11,14H,4-6H2,1-3H3
InChIKeyRXKRBLGQZHBWTM-UHFFFAOYSA-N
MW232.34 g/mol
LogP5.06
Rot. Bonds1

About 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene

1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene (PubChem CID 134964331) has the molecular formula C16H21F and a molecular weight of 232.34 g/mol. Its IUPAC name is 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene.

Molecular Properties

Compound Name1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene
PubChem CID134964331
Molecular FormulaC16H21F
Molecular Weight232.34 g/mol
Exact Mass232.16
IUPAC Name1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene
SMILESCC(C)(C)C1C=C(c2ccc(F)cc2)CCC1
InChIInChI=1S/C16H21F/c1-16(2,3)14-6-4-5-13(11-14)12-7-9-15(17)10-8-12/h7-11,14H,4-6H2,1-3H3
InChIKeyRXKRBLGQZHBWTM-UHFFFAOYSA-N
XLogP5.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.34
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene?
The IUPAC name of 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene (CID 134964331) is 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene.
What is the SMILES notation for 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene?
The canonical SMILES for 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene is CC(C)(C)C1C=C(c2ccc(F)cc2)CCC1.
What is the InChIKey of 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene?
The InChIKey is RXKRBLGQZHBWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F/c1-16(2,3)14-6-4-5-13(11-14)12-7-9-15(17)10-8-12/h7-11,14H,4-6H2,1-3H3.
What are the key properties of 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene?
1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene has a molecular weight of 232.34 g/mol, XLogP of 5.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butylcyclohexen-1-yl)-4-fluorobenzene is sourced from PubChem (CID 134964331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).