2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol

C9H11F3O — CID 88997265

IUPAC2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol
SMILESCC(CO)C1=C(F)CCC(F)=C1F
InChIInChI=1S/C9H11F3O/c1-5(4-13)8-6(10)2-3-7(11)9(8)12/h5,13H,2-4H2,1H3
InChIKeyNZUGMPPESHTBFN-UHFFFAOYSA-N
MW192.18 g/mol
LogP2.78
Rot. Bonds2

About 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol

2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol (PubChem CID 88997265) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol
PubChem CID88997265
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol
SMILESCC(CO)C1=C(F)CCC(F)=C1F
InChIInChI=1S/C9H11F3O/c1-5(4-13)8-6(10)2-3-7(11)9(8)12/h5,13H,2-4H2,1H3
InChIKeyNZUGMPPESHTBFN-UHFFFAOYSA-N
XLogP2.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol?
The IUPAC name of 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol (CID 88997265) is 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol.
What is the SMILES notation for 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol?
The canonical SMILES for 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol is CC(CO)C1=C(F)CCC(F)=C1F.
What is the InChIKey of 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol?
The InChIKey is NZUGMPPESHTBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-5(4-13)8-6(10)2-3-7(11)9(8)12/h5,13H,2-4H2,1H3.
What are the key properties of 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol?
2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol has a molecular weight of 192.18 g/mol, XLogP of 2.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5,6-trifluorocyclohexa-1,5-dien-1-yl)propan-1-ol is sourced from PubChem (CID 88997265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).