1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol

C10H13F3O — CID 123308603

IUPAC1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
SMILESCC1=CC=C(C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C10H13F3O/c1-7-3-5-8(6-4-7)9(2,14)10(11,12)13/h3,5,14H,4,6H2,1-2H3
InChIKeyJGOIVZUKPQQBQE-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.97
Rot. Bonds1

About 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol

1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol (PubChem CID 123308603) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
PubChem CID123308603
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol
SMILESCC1=CC=C(C(C)(O)C(F)(F)F)CC1
InChIInChI=1S/C10H13F3O/c1-7-3-5-8(6-4-7)9(2,14)10(11,12)13/h3,5,14H,4,6H2,1-2H3
InChIKeyJGOIVZUKPQQBQE-UHFFFAOYSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol (CID 123308603) is 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol is CC1=CC=C(C(C)(O)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol?
The InChIKey is JGOIVZUKPQQBQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-7-3-5-8(6-4-7)9(2,14)10(11,12)13/h3,5,14H,4,6H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol?
1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol has a molecular weight of 206.21 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-(4-methylcyclohexa-1,3-dien-1-yl)propan-2-ol is sourced from PubChem (CID 123308603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).