1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol

C15H27F3O — CID 158230326

IUPAC1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)(F)C1(C)C(C)(C)C(C)(F)C1(C)C
InChIInChI=1S/C15H27F3O/c1-9(2)10(19)15(17,18)13(7)11(3,4)14(8,16)12(13,5)6/h9-10,19H,1-8H3
InChIKeyUSBNGWHOAQDGKC-UHFFFAOYSA-N
MW280.37 g/mol
LogP4.44
Rot. Bonds3

About 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol

1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol (PubChem CID 158230326) has the molecular formula C15H27F3O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol
PubChem CID158230326
Molecular FormulaC15H27F3O
Molecular Weight280.37 g/mol
Exact Mass280.20
IUPAC Name1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol
SMILESCC(C)C(O)C(F)(F)C1(C)C(C)(C)C(C)(F)C1(C)C
InChIInChI=1S/C15H27F3O/c1-9(2)10(19)15(17,18)13(7)11(3,4)14(8,16)12(13,5)6/h9-10,19H,1-8H3
InChIKeyUSBNGWHOAQDGKC-UHFFFAOYSA-N
XLogP4.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol with MolForge

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Related Compounds

1-(3,3-difluoro-1-methylcyclobutyl)-1,1-difluoro-3-methylbutan-2-ol
CID 134373245
1,1-difluoro-3-methyl-1-(1-methylcyclobutyl)butan-2-ol
CID 134373340
6,6,6-trifluoro-2,4,4-trimethylhexan-3-ol
CID 129270186
2,2-difluoro-3-hydroxy-4-methylpentanoic acid
CID 62398254
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
ethane;tetrakis(propan-2-ol)
CID 174681393
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
CID 170179238
4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol
CID 10878705
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
2-(dimethylamino)-2,4-dimethylpentan-3-ol
CID 79047510
3,3,4,4,5,5,6,6-octafluorooctane-2,7-diol
CID 146550154

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol?
The IUPAC name of 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol (CID 158230326) is 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol.
What is the SMILES notation for 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol?
The canonical SMILES for 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol is CC(C)C(O)C(F)(F)C1(C)C(C)(C)C(C)(F)C1(C)C.
What is the InChIKey of 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol?
The InChIKey is USBNGWHOAQDGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3O/c1-9(2)10(19)15(17,18)13(7)11(3,4)14(8,16)12(13,5)6/h9-10,19H,1-8H3.
What are the key properties of 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol?
1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol has a molecular weight of 280.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(3-fluoro-1,2,2,3,4,4-hexamethylcyclobutyl)-3-methylbutan-2-ol is sourced from PubChem (CID 158230326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).