[5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium

C14H16F5Y- — CID 58690125

IUPAC[5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium
SMILESCCC(CC(F)C(CF)C(F)(F)F)c1cc[c-]cc1.[Y]
InChIInChI=1S/C14H16F5.Y/c1-2-10(11-6-4-3-5-7-11)8-13(16)12(9-15)14(17,18)19;/h4-7,10,12-13H,2,8-9H2,1H3;/q-1;
InChIKeyDUEWOEWZDCTINO-UHFFFAOYSA-N
MW368.18 g/mol
LogP4.85
Rot. Bonds6

About [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium

[5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium (PubChem CID 58690125) has the molecular formula C14H16F5Y- and a molecular weight of 368.18 g/mol. Its IUPAC name is [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium.

Molecular Properties

Compound Name[5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium
PubChem CID58690125
Molecular FormulaC14H16F5Y-
Molecular Weight368.18 g/mol
Exact Mass368.02
IUPAC Name[5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium
SMILESCCC(CC(F)C(CF)C(F)(F)F)c1cc[c-]cc1.[Y]
InChIInChI=1S/C14H16F5.Y/c1-2-10(11-6-4-3-5-7-11)8-13(16)12(9-15)14(17,18)19;/h4-7,10,12-13H,2,8-9H2,1H3;/q-1;
InChIKeyDUEWOEWZDCTINO-UHFFFAOYSA-N
XLogP4.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

8,9-Bis(difluoromethylidene)bicyclo[3.2.2]nona-2,6-diene
CID 134964338
3-Methyl-1-(3,3,3-trifluoroprop-1-en-2-yl)cyclohexene
CID 134981984
11,12-Bis(trifluoromethyl)bicyclo[8.2.2]tetradeca-11,13-diene
CID 12453823
1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-1,3-diene
CID 19020210
1-Ethenyl-5,5,6,6-tetrafluoro-4-(2-methylbutan-2-yl)cyclohexa-1,3-diene
CID 19364579
1-Ethyl-3-(3,3,3-trifluoropropyl)cyclohexene
CID 56630849
7-But-2-enyl-6-(2,2-difluoroethenyl)-8-ethenyl-5-methyldodeca-2,4,10-triene
CID 56984044
[3,7,7,7-Tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium
CID 58690114
[3,5,7,7,7-Pentafluoro-4,6-bis(fluoromethyl)heptan-3-yl]benzene;yttrium
CID 58690121
7,7,7-Trifluoroheptan-3-ylbenzene;yttrium
CID 59024607
2-Fluoro-5-(2,5,5-trimethylhex-2-en-3-yl)cyclohexa-1,3-diene
CID 68028040
(3S)-3-(2-ethylpentyl)-1-(2,2,2-trifluoroethyl)cyclohexene
CID 68340925

Frequently Asked Questions

What is the IUPAC name of [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium?
The IUPAC name of [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium (CID 58690125) is [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium.
What is the SMILES notation for [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium?
The canonical SMILES for [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium is CCC(CC(F)C(CF)C(F)(F)F)c1cc[c-]cc1.[Y].
What is the InChIKey of [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium?
The InChIKey is DUEWOEWZDCTINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5.Y/c1-2-10(11-6-4-3-5-7-11)8-13(16)12(9-15)14(17,18)19;/h4-7,10,12-13H,2,8-9H2,1H3;/q-1;.
What are the key properties of [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium?
[5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium has a molecular weight of 368.18 g/mol, XLogP of 4.85, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [5,7,7,7-tetrafluoro-6-(fluoromethyl)heptan-3-yl]benzene;yttrium is sourced from PubChem (CID 58690125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).