4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene

C16H22F2 — CID 144902495

IUPAC4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
SMILESCC(C)(C)C1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H22F2/c1-16(2,3)13-7-4-11(5-8-13)12-6-9-14(17)15(18)10-12/h6,9-11,13H,4-5,7-8H2,1-3H3
InChIKeyQNGNBRAHKVVCPG-UHFFFAOYSA-N
MW252.35 g/mol
LogP5.28
Rot. Bonds1

About 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene

4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene (PubChem CID 144902495) has the molecular formula C16H22F2 and a molecular weight of 252.35 g/mol. Its IUPAC name is 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene.

Molecular Properties

Compound Name4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
PubChem CID144902495
Molecular FormulaC16H22F2
Molecular Weight252.35 g/mol
Exact Mass252.17
IUPAC Name4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene
SMILESCC(C)(C)C1CCC(c2ccc(F)c(F)c2)CC1
InChIInChI=1S/C16H22F2/c1-16(2,3)13-7-4-11(5-8-13)12-6-9-14(17)15(18)10-12/h6,9-11,13H,4-5,7-8H2,1-3H3
InChIKeyQNGNBRAHKVVCPG-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.35
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene?
The IUPAC name of 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene (CID 144902495) is 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene.
What is the SMILES notation for 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene?
The canonical SMILES for 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene is CC(C)(C)C1CCC(c2ccc(F)c(F)c2)CC1.
What is the InChIKey of 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene?
The InChIKey is QNGNBRAHKVVCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2/c1-16(2,3)13-7-4-11(5-8-13)12-6-9-14(17)15(18)10-12/h6,9-11,13H,4-5,7-8H2,1-3H3.
What are the key properties of 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene?
4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene has a molecular weight of 252.35 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylcyclohexyl)-1,2-difluorobenzene is sourced from PubChem (CID 144902495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).