2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C11H12F6O — CID 97049712

IUPAC2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC[C@H]1C=CC=C[C@]1(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O/c1-7-5-3-4-6-8(7,2)9(18,10(12,13)14)11(15,16)17/h3-7,18H,1-2H3/t7-,8-/m0/s1
InChIKeyJBYPCQWVZYWFGB-YUMQZZPRSA-N
MW274.20 g/mol
LogP3.61
Rot. Bonds1

About 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 97049712) has the molecular formula C11H12F6O and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID97049712
Molecular FormulaC11H12F6O
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Name2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESC[C@H]1C=CC=C[C@]1(C)C(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H12F6O/c1-7-5-3-4-6-8(7,2)9(18,10(12,13)14)11(15,16)17/h3-7,18H,1-2H3/t7-,8-/m0/s1
InChIKeyJBYPCQWVZYWFGB-YUMQZZPRSA-N
XLogP3.61
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol with MolForge

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Related Compounds

(1,6-dimethylcyclohexa-2,4-dien-1-yl)methanol
CID 66826478
1,6-dimethylcyclohexa-2,4-dien-1-ol;hydrate
CID 172555879
5-(chloromethyl)-5,6-dimethylcyclohexa-1,3-diene
CID 141115127
1-chloro-6-methylcyclohexa-2,4-dien-1-ol
CID 150816987
(1R,6S)-1,6-dimethylcyclohexa-2,4-diene-1-sulfonic acid
CID 124527543
5,5-dimethyl-6-(trifluoromethyl)cyclohexa-1,3-diene
CID 89187288
2-(1,6-dimethylcyclohexa-2,4-dien-1-yl)guanidine
CID 140979928
(1,6-dimethylcyclohexa-2,4-dien-1-yl)-oxidoazanium
CID 140980510
(1,6-dimethylcyclohexa-2,4-dien-1-yl) 2,2,2-trichloroacetate
CID 175877756
bromo 1,6-dimethylcyclohexa-2,4-diene-1-carboxylate
CID 174689520
(1,6-dimethylcyclohexa-2,4-dien-1-yl) carbamate
CID 141274704
(1,6-dimethylcyclohexa-2,4-dien-1-yl)oxy-dihydroxy-sulfanylidene-λ5-phosphane
CID 141141591

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 97049712) is 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is C[C@H]1C=CC=C[C@]1(C)C(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is JBYPCQWVZYWFGB-YUMQZZPRSA-N. The full InChI is InChI=1S/C11H12F6O/c1-7-5-3-4-6-8(7,2)9(18,10(12,13)14)11(15,16)17/h3-7,18H,1-2H3/t7-,8-/m0/s1.
What are the key properties of 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 274.20 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,6S)-1,6-dimethylcyclohexa-2,4-dien-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 97049712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).