2-(7,7,7-trifluoroheptoxy)naphthalene

C17H19F3O — CID 134838643

IUPAC2-(7,7,7-trifluoroheptoxy)naphthalene
SMILESFC(F)(F)CCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H19F3O/c18-17(19,20)11-5-1-2-6-12-21-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyVVJONYVRZMVGQK-UHFFFAOYSA-N
MW296.33 g/mol
LogP5.73
Rot. Bonds7

About 2-(7,7,7-trifluoroheptoxy)naphthalene

2-(7,7,7-trifluoroheptoxy)naphthalene (PubChem CID 134838643) has the molecular formula C17H19F3O and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(7,7,7-trifluoroheptoxy)naphthalene.

Molecular Properties

Compound Name2-(7,7,7-trifluoroheptoxy)naphthalene
PubChem CID134838643
Molecular FormulaC17H19F3O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name2-(7,7,7-trifluoroheptoxy)naphthalene
SMILESFC(F)(F)CCCCCCOc1ccc2ccccc2c1
InChIInChI=1S/C17H19F3O/c18-17(19,20)11-5-1-2-6-12-21-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,1-2,5-6,11-12H2
InChIKeyVVJONYVRZMVGQK-UHFFFAOYSA-N
XLogP5.73
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.33
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(9-bromononoxy)naphthalene
CID 105343234
11-naphthalen-2-yloxyundecan-1-ol
CID 164916130
2-(2,2,2-trifluoroethoxy)naphthalene
CID 21269180
1-bromo-3-(10,10,10-trifluorodecoxy)benzene
CID 151626696
2,2-dimethyl-6-naphthalen-2-yloxyhexanenitrile
CID 106710365
10-anthracen-2-yloxydecane-1-thiol
CID 10808920
2-[3-(fluoromethoxy)propoxy]naphthalene
CID 71043107
7-naphthalen-2-yloxyheptanoic acid
CID 39371628
1-iodo-4-(5,5,5-trifluoropentoxy)benzene
CID 102202371
N,N-dimethyl-4-naphthalen-2-yloxybutan-1-amine
CID 59083731
methyl(4-naphthalen-2-yloxybutyl)azanium
CID 7454605
2-methyl-4-naphthalen-2-yloxybutan-2-amine
CID 10561404

Frequently Asked Questions

What is the IUPAC name of 2-(7,7,7-trifluoroheptoxy)naphthalene?
The IUPAC name of 2-(7,7,7-trifluoroheptoxy)naphthalene (CID 134838643) is 2-(7,7,7-trifluoroheptoxy)naphthalene.
What is the SMILES notation for 2-(7,7,7-trifluoroheptoxy)naphthalene?
The canonical SMILES for 2-(7,7,7-trifluoroheptoxy)naphthalene is FC(F)(F)CCCCCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(7,7,7-trifluoroheptoxy)naphthalene?
The InChIKey is VVJONYVRZMVGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3O/c18-17(19,20)11-5-1-2-6-12-21-16-10-9-14-7-3-4-8-15(14)13-16/h3-4,7-10,13H,1-2,5-6,11-12H2.
What are the key properties of 2-(7,7,7-trifluoroheptoxy)naphthalene?
2-(7,7,7-trifluoroheptoxy)naphthalene has a molecular weight of 296.33 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,7,7-trifluoroheptoxy)naphthalene is sourced from PubChem (CID 134838643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).