2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

C15H20F2O — CID 114982036

IUPAC2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCC1(C)C(C(O)Cc2cc(F)ccc2F)C1(C)C
InChIInChI=1S/C15H20F2O/c1-14(2)13(15(14,3)4)12(18)8-9-7-10(16)5-6-11(9)17/h5-7,12-13,18H,8H2,1-4H3
InChIKeyGKGDXZOEOYEVNC-UHFFFAOYSA-N
MW254.32 g/mol
LogP3.55
Rot. Bonds3

About 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol

2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (PubChem CID 114982036) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
PubChem CID114982036
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
SMILESCC1(C)C(C(O)Cc2cc(F)ccc2F)C1(C)C
InChIInChI=1S/C15H20F2O/c1-14(2)13(15(14,3)4)12(18)8-9-7-10(16)5-6-11(9)17/h5-7,12-13,18H,8H2,1-4H3
InChIKeyGKGDXZOEOYEVNC-UHFFFAOYSA-N
XLogP3.55
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,5-dichlorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115801998
1-(2,5-difluorophenyl)-3-methylbutane-2,3-diol
CID 103448861
2-(2,5-difluorophenyl)-1-(2,6-dimethoxyphenyl)ethanol
CID 114981931
1-cyclopropyl-3-(2,5-difluorophenyl)propane-1,2-diol
CID 103456708
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanol
CID 106634597
2-(4-chloro-3-fluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 107894346
3-cyclopropyl-1-(2,5-difluorophenyl)butan-2-ol
CID 114982150
1-(2,5-difluorophenyl)-3-(1,3-dioxolan-2-yl)propan-2-ol
CID 103547378
1-(2,5-difluorophenyl)-3-methylhexan-2-ol
CID 63901618
2-(2,5-difluorophenyl)-1-(2,4,6-trimethylphenyl)ethanol
CID 63893918
2-(2-chloro-5-fluorophenyl)-1-(4,4-dimethylcyclohexyl)ethanol
CID 102618021
2-(2,5-difluorophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 114982148

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The IUPAC name of 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol (CID 114982036) is 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol.
What is the SMILES notation for 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The canonical SMILES for 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is CC1(C)C(C(O)Cc2cc(F)ccc2F)C1(C)C.
What is the InChIKey of 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
The InChIKey is GKGDXZOEOYEVNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-14(2)13(15(14,3)4)12(18)8-9-7-10(16)5-6-11(9)17/h5-7,12-13,18H,8H2,1-4H3.
What are the key properties of 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol?
2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol has a molecular weight of 254.32 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol is sourced from PubChem (CID 114982036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).