(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol

C7H7F3O — CID 70639860

IUPAC(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=C(F)CC(F)C(F)=C1
InChIInChI=1S/C7H7F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1,7,11H,2-3H2
InChIKeyWQXYXFGQSHBDKH-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.80
Rot. Bonds1

About (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol

(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol (PubChem CID 70639860) has the molecular formula C7H7F3O and a molecular weight of 164.13 g/mol. Its IUPAC name is (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol.

Molecular Properties

Compound Name(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol
PubChem CID70639860
Molecular FormulaC7H7F3O
Molecular Weight164.13 g/mol
Exact Mass164.04
IUPAC Name(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol
SMILESOCC1=C(F)CC(F)C(F)=C1
InChIInChI=1S/C7H7F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1,7,11H,2-3H2
InChIKeyWQXYXFGQSHBDKH-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol?
The IUPAC name of (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol (CID 70639860) is (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol.
What is the SMILES notation for (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol?
The canonical SMILES for (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol is OCC1=C(F)CC(F)C(F)=C1.
What is the InChIKey of (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol?
The InChIKey is WQXYXFGQSHBDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3O/c8-5-2-7(10)6(9)1-4(5)3-11/h1,7,11H,2-3H2.
What are the key properties of (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol?
(2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol has a molecular weight of 164.13 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4,5-trifluorocyclohexa-1,5-dien-1-yl)methanol is sourced from PubChem (CID 70639860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).