2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol

C16H22F2O — CID 63406868

IUPAC2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2O/c1-15(2,3)14-6-4-5-9-16(14,19)12-8-7-11(17)10-13(12)18/h7-8,10,14,19H,4-6,9H2,1-3H3
InChIKeyVBEYHDGDRXWQCU-UHFFFAOYSA-N
MW268.35 g/mol
LogP4.39
Rot. Bonds1

About 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol

2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol (PubChem CID 63406868) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol
PubChem CID63406868
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCCCC1(O)c1ccc(F)cc1F
InChIInChI=1S/C16H22F2O/c1-15(2,3)14-6-4-5-9-16(14,19)12-8-7-11(17)10-13(12)18/h7-8,10,14,19H,4-6,9H2,1-3H3
InChIKeyVBEYHDGDRXWQCU-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-tert-butyl-1-(2-fluoro-5-methylphenyl)cyclohexan-1-ol
CID 55186000
1-(4-bromo-3-chloro-2-fluorophenyl)-2-tert-butylcyclohexan-1-ol
CID 106761218
2-tert-butyl-1-(2-methoxy-5-methylphenyl)cyclohexan-1-ol
CID 63406912
1-(2,4-difluorophenyl)-2-methylcyclohexan-1-amine
CID 62802200
2-tert-butyl-1-[(3,5-difluorophenyl)methyl]cyclohexan-1-ol
CID 105402426
2-tert-butyl-1-(3-methoxyphenyl)cyclohexan-1-ol
CID 60794931
1-(2,4-difluorophenyl)-2,4,4-trimethylcyclopentan-1-ol
CID 106663829
N-[[1-(2,4-difluorophenyl)cycloheptyl]methyl]-2-methylpropan-2-amine
CID 64561227
2-tert-butyl-1-[(5-fluoro-2-methylphenyl)methyl]cyclohexan-1-amine
CID 105373066
1-(1-benzofuran-2-yl)-2-tert-butylcyclohexan-1-ol
CID 114722905
2-(2-aminopropan-2-yl)-1-[2,3-dichloro-4-[(4-chlorophenyl)methyl]phenyl]cyclohexan-1-ol
CID 69136403
1-(2,4-difluorophenyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 63409045

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol?
The IUPAC name of 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol (CID 63406868) is 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol.
What is the SMILES notation for 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol?
The canonical SMILES for 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol is CC(C)(C)C1CCCCC1(O)c1ccc(F)cc1F.
What is the InChIKey of 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol?
The InChIKey is VBEYHDGDRXWQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O/c1-15(2,3)14-6-4-5-9-16(14,19)12-8-7-11(17)10-13(12)18/h7-8,10,14,19H,4-6,9H2,1-3H3.
What are the key properties of 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol?
2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol has a molecular weight of 268.35 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-(2,4-difluorophenyl)cyclohexan-1-ol is sourced from PubChem (CID 63406868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).