9-(2,2,2-trifluoroethoxy)phenanthrene

C16H11F3O — CID 162400657

IUPAC9-(2,2,2-trifluoroethoxy)phenanthrene
SMILESFC(F)(F)COc1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H11F3O/c17-16(18,19)10-20-15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H,10H2
InChIKeyRNOOPBZFMIPWHI-UHFFFAOYSA-N
MW276.26 g/mol
LogP4.93
Rot. Bonds2

About 9-(2,2,2-trifluoroethoxy)phenanthrene

9-(2,2,2-trifluoroethoxy)phenanthrene (PubChem CID 162400657) has the molecular formula C16H11F3O and a molecular weight of 276.26 g/mol. Its IUPAC name is 9-(2,2,2-trifluoroethoxy)phenanthrene.

Molecular Properties

Compound Name9-(2,2,2-trifluoroethoxy)phenanthrene
PubChem CID162400657
Molecular FormulaC16H11F3O
Molecular Weight276.26 g/mol
Exact Mass276.08
IUPAC Name9-(2,2,2-trifluoroethoxy)phenanthrene
SMILESFC(F)(F)COc1cc2ccccc2c2ccccc12
InChIInChI=1S/C16H11F3O/c17-16(18,19)10-20-15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H,10H2
InChIKeyRNOOPBZFMIPWHI-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-Ethoxynaphthalene
CID 7129
2-(2-Methylpropoxy)naphthalene
CID 16582
1,4-Dimethoxyanthracene
CID 83107
Benzyl 2-naphthyl ether
CID 123080
Butyl beta-naphthyl ether
CID 82664
2,2'-Dimethoxy-1,1'-binaphthyl
CID 235616
Benzo(kl)xanthene
CID 67456
Naphthalene, 1-(phenylmethoxy)-
CID 136404
1-Methoxyphenanthrene
CID 43547
4-Methoxy-4-[3-(naphthalen-2-ylmethoxy)-phenyl]-tetrahydro-pyran
CID 15637380
Anthracene, 9,10-methoxy-
CID 614085
Multicaulin
CID 467782

Frequently Asked Questions

What is the IUPAC name of 9-(2,2,2-trifluoroethoxy)phenanthrene?
The IUPAC name of 9-(2,2,2-trifluoroethoxy)phenanthrene (CID 162400657) is 9-(2,2,2-trifluoroethoxy)phenanthrene.
What is the SMILES notation for 9-(2,2,2-trifluoroethoxy)phenanthrene?
The canonical SMILES for 9-(2,2,2-trifluoroethoxy)phenanthrene is FC(F)(F)COc1cc2ccccc2c2ccccc12.
What is the InChIKey of 9-(2,2,2-trifluoroethoxy)phenanthrene?
The InChIKey is RNOOPBZFMIPWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O/c17-16(18,19)10-20-15-9-11-5-1-2-6-12(11)13-7-3-4-8-14(13)15/h1-9H,10H2.
What are the key properties of 9-(2,2,2-trifluoroethoxy)phenanthrene?
9-(2,2,2-trifluoroethoxy)phenanthrene has a molecular weight of 276.26 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2,2-trifluoroethoxy)phenanthrene is sourced from PubChem (CID 162400657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).