[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol

C10H9F3O — CID 105454115

IUPAC[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol
SMILESOCC1Cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H9F3O/c11-10(12,13)8-2-1-6-3-7(5-14)9(6)4-8/h1-2,4,7,14H,3,5H2
InChIKeyKYQXWUZSTOZQDY-UHFFFAOYSA-N
MW202.17 g/mol
LogP2.34
Rot. Bonds1

About [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol

[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol (PubChem CID 105454115) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol.

Molecular Properties

Compound Name[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol
PubChem CID105454115
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol
SMILESOCC1Cc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C10H9F3O/c11-10(12,13)8-2-1-6-3-7(5-14)9(6)4-8/h1-2,4,7,14H,3,5H2
InChIKeyKYQXWUZSTOZQDY-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol?
The IUPAC name of [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol (CID 105454115) is [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol.
What is the SMILES notation for [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol?
The canonical SMILES for [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol is OCC1Cc2ccc(C(F)(F)F)cc21.
What is the InChIKey of [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol?
The InChIKey is KYQXWUZSTOZQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O/c11-10(12,13)8-2-1-6-3-7(5-14)9(6)4-8/h1-2,4,7,14H,3,5H2.
What are the key properties of [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol?
[4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol has a molecular weight of 202.17 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanol is sourced from PubChem (CID 105454115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).