(1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol

C14H17F3OS — CID 134966647

IUPAC(1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCC/C(=C1\CC(C)(C)[C@]1(O)C(F)(F)F)c1ccsc1
InChIInChI=1S/C14H17F3OS/c1-4-10(9-5-6-19-8-9)11-7-12(2,3)13(11,18)14(15,16)17/h5-6,8,18H,4,7H2,1-3H3/b11-10-/t13-/m0/s1
InChIKeySKYKFCJHLPWUIL-OEYXZAGESA-N
MW290.35 g/mol
LogP4.64
Rot. Bonds2

About (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol

(1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol (PubChem CID 134966647) has the molecular formula C14H17F3OS and a molecular weight of 290.35 g/mol. Its IUPAC name is (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol.

Molecular Properties

Compound Name(1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol
PubChem CID134966647
Molecular FormulaC14H17F3OS
Molecular Weight290.35 g/mol
Exact Mass290.10
IUPAC Name(1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol
SMILESCC/C(=C1\CC(C)(C)[C@]1(O)C(F)(F)F)c1ccsc1
InChIInChI=1S/C14H17F3OS/c1-4-10(9-5-6-19-8-9)11-7-12(2,3)13(11,18)14(15,16)17/h5-6,8,18H,4,7H2,1-3H3/b11-10-/t13-/m0/s1
InChIKeySKYKFCJHLPWUIL-OEYXZAGESA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol?
The IUPAC name of (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol (CID 134966647) is (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol.
What is the SMILES notation for (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol?
The canonical SMILES for (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol is CC/C(=C1\CC(C)(C)[C@]1(O)C(F)(F)F)c1ccsc1.
What is the InChIKey of (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol?
The InChIKey is SKYKFCJHLPWUIL-OEYXZAGESA-N. The full InChI is InChI=1S/C14H17F3OS/c1-4-10(9-5-6-19-8-9)11-7-12(2,3)13(11,18)14(15,16)17/h5-6,8,18H,4,7H2,1-3H3/b11-10-/t13-/m0/s1.
What are the key properties of (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol?
(1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol has a molecular weight of 290.35 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4Z)-2,2-dimethyl-4-(1-thiophen-3-ylpropylidene)-1-(trifluoromethyl)cyclobutan-1-ol is sourced from PubChem (CID 134966647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).