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

C10H10F6O — CID 123705072

IUPAC1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCC1=CCC(C(O)(C(F)(F)F)C(F)(F)F)C=C1
InChIInChI=1S/C10H10F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2-4,7,17H,5H2,1H3
InChIKeyBDNJXYMTQZTNKR-UHFFFAOYSA-N
MW260.18 g/mol
LogP3.36
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol (PubChem CID 123705072) has the molecular formula C10H10F6O and a molecular weight of 260.18 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
PubChem CID123705072
Molecular FormulaC10H10F6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol
SMILESCC1=CCC(C(O)(C(F)(F)F)C(F)(F)F)C=C1
InChIInChI=1S/C10H10F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2-4,7,17H,5H2,1H3
InChIKeyBDNJXYMTQZTNKR-UHFFFAOYSA-N
XLogP3.36
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol (CID 123705072) is 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol is CC1=CCC(C(O)(C(F)(F)F)C(F)(F)F)C=C1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
The InChIKey is BDNJXYMTQZTNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2-4,7,17H,5H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol has a molecular weight of 260.18 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexa-2,4-dien-1-yl)propan-2-ol is sourced from PubChem (CID 123705072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).