1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene

C16H22F2O — CID 19103753

IUPAC1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
SMILESCCOc1ccc(C2CCC(CC)CC2)c(F)c1F
InChIInChI=1S/C16H22F2O/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h9-12H,3-8H2,1-2H3
InChIKeyBHXVWJXGODUILD-UHFFFAOYSA-N
MW268.35 g/mol
LogP5.05
Rot. Bonds4

About 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene

1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene (PubChem CID 19103753) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
PubChem CID19103753
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene
SMILESCCOc1ccc(C2CCC(CC)CC2)c(F)c1F
InChIInChI=1S/C16H22F2O/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h9-12H,3-8H2,1-2H3
InChIKeyBHXVWJXGODUILD-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.35
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene?
The IUPAC name of 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene (CID 19103753) is 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene.
What is the SMILES notation for 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene?
The canonical SMILES for 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene is CCOc1ccc(C2CCC(CC)CC2)c(F)c1F.
What is the InChIKey of 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene?
The InChIKey is BHXVWJXGODUILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-3-11-5-7-12(8-6-11)13-9-10-14(19-4-2)16(18)15(13)17/h9-12H,3-8H2,1-2H3.
What are the key properties of 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene?
1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene has a molecular weight of 268.35 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-(4-ethylcyclohexyl)-2,3-difluorobenzene is sourced from PubChem (CID 19103753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).