[3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium

C14H16F5Y- — CID 58690114

IUPAC[3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium
SMILESCCC(F)(c1cc[c-]cc1)C(CF)CCC(F)(F)F.[Y]
InChIInChI=1S/C14H16F5.Y/c1-2-13(16,11-6-4-3-5-7-11)12(10-15)8-9-14(17,18)19;/h4-7,12H,2,8-10H2,1H3;/q-1;
InChIKeyKHTWEDBRHZASOS-UHFFFAOYSA-N
MW368.18 g/mol
LogP4.99
Rot. Bonds6

About [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium

[3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium (PubChem CID 58690114) has the molecular formula C14H16F5Y- and a molecular weight of 368.18 g/mol. Its IUPAC name is [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium.

Molecular Properties

Compound Name[3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium
PubChem CID58690114
Molecular FormulaC14H16F5Y-
Molecular Weight368.18 g/mol
Exact Mass368.02
IUPAC Name[3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium
SMILESCCC(F)(c1cc[c-]cc1)C(CF)CCC(F)(F)F.[Y]
InChIInChI=1S/C14H16F5.Y/c1-2-13(16,11-6-4-3-5-7-11)12(10-15)8-9-14(17,18)19;/h4-7,12H,2,8-10H2,1H3;/q-1;
InChIKeyKHTWEDBRHZASOS-UHFFFAOYSA-N
XLogP4.99
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 ≤ 54.99
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

Alpha-Zingiberene
CID 11127403
2-Methyl-5-(6-methylhept-5-en-2-yl)cyclohexa-1,3-diene
CID 521253
(-)-Zingiberene
CID 92776
7-Epizingiberene
CID 21729595
delta-Curcumene
CID 57386731
(5S)-2-methyl-5-[(2S)-6-methylhept-5-en-2-yl]cyclohexa-1,3-diene
CID 12447832
[S-(R*,S*)]-5-(1,5-dimethylhexen-4-yl)-2-methyl-1,3-cyclohexa-1,3-diene
CID 123190780
Zqvfkqsceklvrn-uhfffaoysa-
CID 23264815
1-(1,1,1-Trifluoropropan-2-yl)cyclohexa-1,3-diene
CID 19020210
7-But-2-enyl-6-(2,2-difluoroethenyl)-8-ethenyl-5-methyldodeca-2,4,10-triene
CID 56984044
6,6-Difluoro-1,4,5-trimethylcyclohexene
CID 58151926
[3,5,7,7,7-Pentafluoro-4,6-bis(fluoromethyl)heptan-3-yl]benzene;yttrium
CID 58690121

Frequently Asked Questions

What is the IUPAC name of [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium?
The IUPAC name of [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium (CID 58690114) is [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium.
What is the SMILES notation for [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium?
The canonical SMILES for [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium is CCC(F)(c1cc[c-]cc1)C(CF)CCC(F)(F)F.[Y].
What is the InChIKey of [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium?
The InChIKey is KHTWEDBRHZASOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F5.Y/c1-2-13(16,11-6-4-3-5-7-11)12(10-15)8-9-14(17,18)19;/h4-7,12H,2,8-10H2,1H3;/q-1;.
What are the key properties of [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium?
[3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium has a molecular weight of 368.18 g/mol, XLogP of 4.99, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,7,7,7-tetrafluoro-4-(fluoromethyl)heptan-3-yl]benzene;yttrium is sourced from PubChem (CID 58690114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).