1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol

C17H21F7O — CID 20743949

IUPAC1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
SMILESCC1C(C)C2CC1C1C3CC(C21)C(F)(C(O)(C(F)(F)F)C(F)(F)F)C3
InChIInChI=1S/C17H21F7O/c1-6-7(2)10-4-9(6)12-8-3-11(13(10)12)14(18,5-8)15(25,16(19,20)21)17(22,23)24/h6-13,25H,3-5H2,1-2H3
InChIKeyAPKPUZQBGWELPJ-UHFFFAOYSA-N
MW374.34 g/mol
LogP4.74
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol (PubChem CID 20743949) has the molecular formula C17H21F7O and a molecular weight of 374.34 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
PubChem CID20743949
Molecular FormulaC17H21F7O
Molecular Weight374.34 g/mol
Exact Mass374.15
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol
SMILESCC1C(C)C2CC1C1C3CC(C21)C(F)(C(O)(C(F)(F)F)C(F)(F)F)C3
InChIInChI=1S/C17H21F7O/c1-6-7(2)10-4-9(6)12-8-3-11(13(10)12)14(18,5-8)15(25,16(19,20)21)17(22,23)24/h6-13,25H,3-5H2,1-2H3
InChIKeyAPKPUZQBGWELPJ-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol (CID 20743949) is 1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol is CC1C(C)C2CC1C1C3CC(C21)C(F)(C(O)(C(F)(F)F)C(F)(F)F)C3.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
The InChIKey is APKPUZQBGWELPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F7O/c1-6-7(2)10-4-9(6)12-8-3-11(13(10)12)14(18,5-8)15(25,16(19,20)21)17(22,23)24/h6-13,25H,3-5H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(4-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol has a molecular weight of 374.34 g/mol, XLogP of 4.74, 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-fluoro-9,10-dimethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl)propan-2-ol is sourced from PubChem (CID 20743949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).