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

C12H22F2O — CID 115694405

IUPAC1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol
SMILESCC(C)(C)C1CCC(C(O)C(F)F)CC1
InChIInChI=1S/C12H22F2O/c1-12(2,3)9-6-4-8(5-7-9)10(15)11(13)14/h8-11,15H,4-7H2,1-3H3
InChIKeyCUAPTIGFBKQQOT-UHFFFAOYSA-N
MW220.30 g/mol
LogP3.46
Rot. Bonds2

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

1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol (PubChem CID 115694405) has the molecular formula C12H22F2O and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol
PubChem CID115694405
Molecular FormulaC12H22F2O
Molecular Weight220.30 g/mol
Exact Mass220.16
IUPAC Name1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol
SMILESCC(C)(C)C1CCC(C(O)C(F)F)CC1
InChIInChI=1S/C12H22F2O/c1-12(2,3)9-6-4-8(5-7-9)10(15)11(13)14/h8-11,15H,4-7H2,1-3H3
InChIKeyCUAPTIGFBKQQOT-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
2-(aminomethyl)-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 65185190
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
CID 113428536
tert-butylcyclopropane;1-cyclopropylethylcyclopropane
CID 157166349
2-(4-tert-butylcyclohexyl)-2-hydroxyacetonitrile
CID 104575709
(4-tert-butylcyclohexyl)-(3,4-dimethylcyclohexyl)methanol
CID 65401125
1-tert-butyl-4-(1-chloro-2,2-dimethylpropyl)cyclohexane
CID 57084421
(4-tert-butylcyclohexyl)-(oxolan-3-yl)methanol
CID 65400319
1-(4-tert-butylcyclohexyl)-2-pyridin-4-ylpropan-1-ol
CID 66460889
1-tert-butyl-4-(trifluoromethyl)cyclohexane
CID 23233590
[1-(aminomethyl)cyclopentyl]-(4-tert-butylcyclohexyl)methanol
CID 104576140
5-amino-4-(4-tert-butylcyclohexyl)pentan-2-ol
CID 113428622

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol (CID 115694405) is 1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol is CC(C)(C)C1CCC(C(O)C(F)F)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol?
The InChIKey is CUAPTIGFBKQQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2O/c1-12(2,3)9-6-4-8(5-7-9)10(15)11(13)14/h8-11,15H,4-7H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol?
1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol has a molecular weight of 220.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-2,2-difluoroethanol is sourced from PubChem (CID 115694405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).