[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol

C15H20F2O — CID 116992098

IUPAC[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol
SMILESCC(C)C(F)(F)c1ccc(C2(CO)CCC2)cc1
InChIInChI=1S/C15H20F2O/c1-11(2)15(16,17)13-6-4-12(5-7-13)14(10-18)8-3-9-14/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyOPZITUHQDGMXTO-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.85
Rot. Bonds4

About [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol

[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol (PubChem CID 116992098) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol
PubChem CID116992098
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol
SMILESCC(C)C(F)(F)c1ccc(C2(CO)CCC2)cc1
InChIInChI=1S/C15H20F2O/c1-11(2)15(16,17)13-6-4-12(5-7-13)14(10-18)8-3-9-14/h4-7,11,18H,3,8-10H2,1-2H3
InChIKeyOPZITUHQDGMXTO-UHFFFAOYSA-N
XLogP3.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[3-[4-(1,1-difluoro-2-methylpropyl)phenyl]oxetan-3-yl]methanol
CID 116992101
1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutane-1-carboxylic acid
CID 116992097
[1-(4-ethylsulfanylphenyl)cyclobutyl]methanol
CID 116963789
[1-[4-(dimethylamino)phenyl]cyclobutyl]methanol
CID 83687412
methyl 4-[1-(hydroxymethyl)cyclobutyl]benzoate
CID 164643853
ethane;[1-(4-methylphenyl)cyclopropyl]methanol
CID 177161781
[1-[6-(trifluoromethyl)-3-pyridinyl]cyclopentyl]methanol
CID 117104583
N-[[1-(4-tert-butylphenyl)cyclobutyl]methyl]-2-methylpropan-1-amine
CID 63509925
[1-(4-tert-butylphenyl)cyclobutyl]methanamine
CID 43378542
4-[1-(hydroxymethyl)cyclopropyl]phenol
CID 10877457
1-[4-[1-(aminomethyl)cyclobutyl]phenyl]ethane-1,2-diol
CID 117316559
6-(1,1-difluoro-2-methylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 116841362

Frequently Asked Questions

What is the IUPAC name of [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol?
The IUPAC name of [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol (CID 116992098) is [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol.
What is the SMILES notation for [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol?
The canonical SMILES for [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol is CC(C)C(F)(F)c1ccc(C2(CO)CCC2)cc1.
What is the InChIKey of [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol?
The InChIKey is OPZITUHQDGMXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-11(2)15(16,17)13-6-4-12(5-7-13)14(10-18)8-3-9-14/h4-7,11,18H,3,8-10H2,1-2H3.
What are the key properties of [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol?
[1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol has a molecular weight of 254.32 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(1,1-difluoro-2-methylpropyl)phenyl]cyclobutyl]methanol is sourced from PubChem (CID 116992098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).