(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol

C14H18F2O — CID 66475995

IUPAC(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCC1(C)C(C(O)c2ccc(F)c(F)c2)C1(C)C
InChIInChI=1S/C14H18F2O/c1-13(2)12(14(13,3)4)11(17)8-5-6-9(15)10(16)7-8/h5-7,11-12,17H,1-4H3
InChIKeyGTRTZUYXWPAZKA-UHFFFAOYSA-N
MW240.29 g/mol
LogP3.68
Rot. Bonds2

About (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol

(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol (PubChem CID 66475995) has the molecular formula C14H18F2O and a molecular weight of 240.29 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
PubChem CID66475995
Molecular FormulaC14H18F2O
Molecular Weight240.29 g/mol
Exact Mass240.13
IUPAC Name(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
SMILESCC1(C)C(C(O)c2ccc(F)c(F)c2)C1(C)C
InChIInChI=1S/C14H18F2O/c1-13(2)12(14(13,3)4)11(17)8-5-6-9(15)10(16)7-8/h5-7,11-12,17H,1-4H3
InChIKeyGTRTZUYXWPAZKA-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.29
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3,4-diethylphenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115482596
N-[(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 66476109
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanol
CID 115796992
2,3-dihydro-1H-inden-5-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 66476377
(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117377
(1R,2S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 55272052
(1S)-1-amino-1-(3,4-difluorophenyl)propan-2-ol
CID 131002091
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(3,4-difluorophenyl)-(5,6-dimethyl-1,4-dithian-2-yl)methanol
CID 103345312
5-[hydroxy-(2,2,3,3-tetramethylcyclopropyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 66475420
1-(3,4-difluorophenyl)-3-methylbut-2-en-1-ol
CID 79189575

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The IUPAC name of (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol (CID 66475995) is (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol.
What is the SMILES notation for (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The canonical SMILES for (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol is CC1(C)C(C(O)c2ccc(F)c(F)c2)C1(C)C.
What is the InChIKey of (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
The InChIKey is GTRTZUYXWPAZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2O/c1-13(2)12(14(13,3)4)11(17)8-5-6-9(15)10(16)7-8/h5-7,11-12,17H,1-4H3.
What are the key properties of (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol?
(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol has a molecular weight of 240.29 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol is sourced from PubChem (CID 66475995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).