(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol

C7H7F3O — CID 88890755

IUPAC(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CC(F)C(F)C(F)=C1
InChIInChI=1S/C7H7F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,5,7,11H,3H2
InChIKeyZQITXGCUQVCTMB-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.45
Rot. Bonds1

About (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol

(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol (PubChem CID 88890755) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol
PubChem CID88890755
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=CC(F)C(F)C(F)=C1
InChIInChI=1S/C7H7F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,5,7,11H,3H2
InChIKeyZQITXGCUQVCTMB-UHFFFAOYSA-N
XLogP1.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol (CID 88890755) is (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol is OCC1=CC(F)C(F)C(F)=C1.
What is the InChIKey of (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is ZQITXGCUQVCTMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-5-1-4(3-11)2-6(9)7(5)10/h1-2,5,7,11H,3H2.
What are the key properties of (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol?
(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 164.13 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 88890755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).