2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane

C21H36F2O — CID 144631307

IUPAC2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane
SMILESCC.CC1CCC(C2CC=C(C3CCC(O)C(F)C3F)CC2)CC1
InChIInChI=1S/C19H30F2O.C2H6/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20;1-2/h8,12-14,16-19,22H,2-7,9-11H2,1H3;1-2H3
InChIKeySIKFTNWJGKWFFK-UHFFFAOYSA-N
MW342.51 g/mol
LogP6.01
Rot. Bonds2

About 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane

2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane (PubChem CID 144631307) has the molecular formula C21H36F2O and a molecular weight of 342.51 g/mol. Its IUPAC name is 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane.

Molecular Properties

Compound Name2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane
PubChem CID144631307
Molecular FormulaC21H36F2O
Molecular Weight342.51 g/mol
Exact Mass342.27
IUPAC Name2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane
SMILESCC.CC1CCC(C2CC=C(C3CCC(O)C(F)C3F)CC2)CC1
InChIInChI=1S/C19H30F2O.C2H6/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20;1-2/h8,12-14,16-19,22H,2-7,9-11H2,1H3;1-2H3
InChIKeySIKFTNWJGKWFFK-UHFFFAOYSA-N
XLogP6.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.51
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,3-difluoro-4-(4-methylcyclohexen-1-yl)cyclohexan-1-ol
CID 138718400
1-(3-fluoro-4-methylcyclohexyl)-4-(4-methylcyclohexyl)cyclohexene
CID 177321446
4-(4-methylcyclohexyl)cyclohexen-1-ol
CID 145005896
3,4-difluoro-5-[4-(4-methylcyclohexyl)cyclohexen-1-yl]hexan-2-ol;ethane
CID 142421435
[4-(4-methylcyclohexyl)cyclohexen-1-yl]boronic acid
CID 145005860
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexan-1-ol;ethane;prop-1-ene
CID 144922818
tetrakis(1,4-bis(4-methylcyclohexyl)cyclohexane);pentakis(1-methyl-4-(4-methylcyclohexyl)cyclohexane);1-methyl-4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexene;molecular hydrogen;dodecahydrate
CID 161058057
1-ethyl-4-(4-methylcyclohexyl)cyclohexene
CID 148827626
2-[4-[4-(cyclobutylmethyl)cyclohexyl]cyclohexen-1-yl]-5-(trifluoromethyl)cyclohexan-1-ol
CID 171812501
2-[4-(4-ethenylcyclohexyl)cyclohexen-1-yl]-5-methoxycyclohexan-1-ol;yttrium
CID 177321429
4-(4-methylcyclohexyl)-1-(5-methylhexan-2-yl)cyclohexene
CID 153333927
2,3-difluoro-4-methylcyclohexan-1-ol
CID 89103699

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane?
The IUPAC name of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane (CID 144631307) is 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane.
What is the SMILES notation for 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane?
The canonical SMILES for 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane is CC.CC1CCC(C2CC=C(C3CCC(O)C(F)C3F)CC2)CC1.
What is the InChIKey of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane?
The InChIKey is SIKFTNWJGKWFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F2O.C2H6/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)16-10-11-17(22)19(21)18(16)20;1-2/h8,12-14,16-19,22H,2-7,9-11H2,1H3;1-2H3.
What are the key properties of 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane?
2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane has a molecular weight of 342.51 g/mol, XLogP of 6.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-[4-(4-methylcyclohexyl)cyclohexen-1-yl]cyclohexan-1-ol;ethane is sourced from PubChem (CID 144631307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).