(2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

C13H17F3OS — CID 112745719

IUPAC(2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCC1(C)C(C(O)c2cscc2C(F)(F)F)C1(C)C
InChIInChI=1S/C13H17F3OS/c1-11(2)10(12(11,3)4)9(17)7-5-18-6-8(7)13(14,15)16/h5-6,9-10,17H,1-4H3
InChIKeyUUMYXHDDFMGUAA-UHFFFAOYSA-N
MW278.34 g/mol
LogP4.48
Rot. Bonds2

About (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol

(2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (PubChem CID 112745719) has the molecular formula C13H17F3OS and a molecular weight of 278.34 g/mol. Its IUPAC name is (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.

Molecular Properties

Compound Name(2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
PubChem CID112745719
Molecular FormulaC13H17F3OS
Molecular Weight278.34 g/mol
Exact Mass278.10
IUPAC Name(2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol
SMILESCC1(C)C(C(O)c2cscc2C(F)(F)F)C1(C)C
InChIInChI=1S/C13H17F3OS/c1-11(2)10(12(11,3)4)9(17)7-5-18-6-8(7)13(14,15)16/h5-6,9-10,17H,1-4H3
InChIKeyUUMYXHDDFMGUAA-UHFFFAOYSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The IUPAC name of (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol (CID 112745719) is (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol.
What is the SMILES notation for (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The canonical SMILES for (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is CC1(C)C(C(O)c2cscc2C(F)(F)F)C1(C)C.
What is the InChIKey of (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
The InChIKey is UUMYXHDDFMGUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3OS/c1-11(2)10(12(11,3)4)9(17)7-5-18-6-8(7)13(14,15)16/h5-6,9-10,17H,1-4H3.
What are the key properties of (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol?
(2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol has a molecular weight of 278.34 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,3,3-tetramethylcyclopropyl)-[4-(trifluoromethyl)thiophen-3-yl]methanol is sourced from PubChem (CID 112745719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).