[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol

C15H17F3O — CID 106651057

IUPAC[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
SMILESOC(/C1=C/CCCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H17F3O/c16-12-8-11(9-13(17)14(12)18)15(19)10-6-4-2-1-3-5-7-10/h6,8-9,15,19H,1-5,7H2/b10-6+
InChIKeyRIANKGUZGIICNE-UXBLZVDNSA-N
MW270.29 g/mol
LogP4.42
Rot. Bonds2

About [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol

[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol (PubChem CID 106651057) has the molecular formula C15H17F3O and a molecular weight of 270.29 g/mol. Its IUPAC name is [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
PubChem CID106651057
Molecular FormulaC15H17F3O
Molecular Weight270.29 g/mol
Exact Mass270.12
IUPAC Name[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol
SMILESOC(/C1=C/CCCCCC1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H17F3O/c16-12-8-11(9-13(17)14(12)18)15(19)10-6-4-2-1-3-5-7-10/h6,8-9,15,19H,1-5,7H2/b10-6+
InChIKeyRIANKGUZGIICNE-UXBLZVDNSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(4-bromo-3-fluorophenyl)-(cyclohexen-1-yl)methanol
CID 62080016
1-(cyclohexen-1-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 55160436
[(1E)-cycloocten-1-yl]-(4-fluoro-3-methoxyphenyl)methanol
CID 106657566
cyclohexen-1-yl(cyclopenten-1-yl)methanol
CID 19798316
[(1E)-cycloocten-1-yl]-(2,6-difluorophenyl)methanol
CID 106651011
(4-chloro-3-fluorophenyl)-(cyclopenten-1-yl)methanol
CID 107991218
[(1E)-cycloocten-1-yl]-(4-methylphenyl)methanol
CID 106651010
(5-bromothiophen-3-yl)-(cyclohepten-1-yl)methanol
CID 106657822
(4-chloro-2,5-difluorophenyl)-(cyclohexen-1-yl)methanol
CID 82773069
1-(4-chloro-3-fluorophenyl)-1-(cyclohepten-1-yl)-N-methylmethanamine
CID 107995961
[(1E)-cycloocten-1-yl]-(1,3-dihydro-2-benzofuran-5-yl)methanol
CID 106657645
[(1E)-cycloocten-1-yl]-(4-fluoro-2-methylphenyl)methanol
CID 106651066

Frequently Asked Questions

What is the IUPAC name of [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol (CID 106651057) is [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol is OC(/C1=C/CCCCCC1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol?
The InChIKey is RIANKGUZGIICNE-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H17F3O/c16-12-8-11(9-13(17)14(12)18)15(19)10-6-4-2-1-3-5-7-10/h6,8-9,15,19H,1-5,7H2/b10-6+.
What are the key properties of [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol?
[(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol has a molecular weight of 270.29 g/mol, XLogP of 4.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E)-cycloocten-1-yl]-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 106651057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).