1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene

C21H32F2O — CID 143772778

IUPAC1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene
SMILESCCCCC(C)Oc1c(F)cc(C2CCC(C(C)C)CC2)cc1F
InChIInChI=1S/C21H32F2O/c1-5-6-7-15(4)24-21-19(22)12-18(13-20(21)23)17-10-8-16(9-11-17)14(2)3/h12-17H,5-11H2,1-4H3
InChIKeySJXZZSNSTZALQL-UHFFFAOYSA-N
MW338.48 g/mol
LogP6.85
Rot. Bonds7

About 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene

1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene (PubChem CID 143772778) has the molecular formula C21H32F2O and a molecular weight of 338.48 g/mol. Its IUPAC name is 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene.

Molecular Properties

Compound Name1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene
PubChem CID143772778
Molecular FormulaC21H32F2O
Molecular Weight338.48 g/mol
Exact Mass338.24
IUPAC Name1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene
SMILESCCCCC(C)Oc1c(F)cc(C2CCC(C(C)C)CC2)cc1F
InChIInChI=1S/C21H32F2O/c1-5-6-7-15(4)24-21-19(22)12-18(13-20(21)23)17-10-8-16(9-11-17)14(2)3/h12-17H,5-11H2,1-4H3
InChIKeySJXZZSNSTZALQL-UHFFFAOYSA-N
XLogP6.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.48
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene?
The IUPAC name of 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene (CID 143772778) is 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene.
What is the SMILES notation for 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene?
The canonical SMILES for 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene is CCCCC(C)Oc1c(F)cc(C2CCC(C(C)C)CC2)cc1F.
What is the InChIKey of 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene?
The InChIKey is SJXZZSNSTZALQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32F2O/c1-5-6-7-15(4)24-21-19(22)12-18(13-20(21)23)17-10-8-16(9-11-17)14(2)3/h12-17H,5-11H2,1-4H3.
What are the key properties of 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene?
1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene has a molecular weight of 338.48 g/mol, XLogP of 6.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-difluoro-2-hexan-2-yloxy-5-(4-propan-2-ylcyclohexyl)benzene is sourced from PubChem (CID 143772778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).