1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol

C19H30F6O — CID 123992252

IUPAC1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol
SMILESCC(C)(C)CC(C1C=CC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C(C)(C)C
InChIInChI=1S/C19H30F6O/c1-15(2,3)11-14(16(4,5)6)12-7-9-13(10-8-12)17(26,18(20,21)22)19(23,24)25/h7,9,12-14,26H,8,10-11H2,1-6H3
InChIKeyGCJXBEGNOXJTEE-UHFFFAOYSA-N
MW388.44 g/mol
LogP6.52
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol (PubChem CID 123992252) has the molecular formula C19H30F6O and a molecular weight of 388.44 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol
PubChem CID123992252
Molecular FormulaC19H30F6O
Molecular Weight388.44 g/mol
Exact Mass388.22
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol
SMILESCC(C)(C)CC(C1C=CC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C(C)(C)C
InChIInChI=1S/C19H30F6O/c1-15(2,3)11-14(16(4,5)6)12-7-9-13(10-8-12)17(26,18(20,21)22)19(23,24)25/h7,9,12-14,26H,8,10-11H2,1-6H3
InChIKeyGCJXBEGNOXJTEE-UHFFFAOYSA-N
XLogP6.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.44
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Launch Full Analysis

Related Compounds

2-Cyclohex-2-en-1-yl-1,1,1-trifluoropropan-2-ol
CID 13601564
(Z,2R)-2-cyclohexyl-1,1,1-trifluorohex-4-en-2-ol
CID 134957805
3-(2-Bicyclo[2.2.1]hept-5-enyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734469
1-Fluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol
CID 21018011
2-(1-Bicyclo[2.2.1]hept-2-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 23089765
1,1,1,3,3,3-Hexafluoro-2-(2-methyl-2-bicyclo[2.2.1]hept-5-enyl)propan-2-ol
CID 57540409
2-[1-(2-Cyclopentylprop-2-enyl)-3-fluorocyclobut-2-en-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58854816
1,1,1,3,3,3-Hexafluoro-2-(6,6-dimethylbicyclo[3.1.1]hepta-2-ene-2-ylmethyl)-2-propanol
CID 58999849
1,1,1,3,3,3-Hexafluoro-2-[3-[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propyl]-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol
CID 59133628
1,1,1,3,3,3-Hexafluoro-2-[2-(trifluoromethyl)-2-bicyclo[2.2.1]hept-5-enyl]propan-2-ol
CID 60027914
CID 60088148
CID 60088148
CID 60099185
CID 60099185

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol (CID 123992252) is 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol is CC(C)(C)CC(C1C=CC(C(O)(C(F)(F)F)C(F)(F)F)CC1)C(C)(C)C.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol?
The InChIKey is GCJXBEGNOXJTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30F6O/c1-15(2,3)11-14(16(4,5)6)12-7-9-13(10-8-12)17(26,18(20,21)22)19(23,24)25/h7,9,12-14,26H,8,10-11H2,1-6H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[4-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol has a molecular weight of 388.44 g/mol, XLogP of 6.52, 3 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-(2,2,5,5-tetramethylhexan-3-yl)cyclohex-2-en-1-yl]propan-2-ol is sourced from PubChem (CID 123992252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).