lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride

C19H18F6LiO2P — CID 173243904

IUPAClithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride
SMILESCCC(C)Oc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C19H17F6O2P.Li.H/c1-3-11(2)27-12-7-9-13(10-8-12)28-17(26)16-14(18(20,21)22)5-4-6-15(16)19(23,24)25;;/h4-11,28H,3H2,1-2H3;;/q;+1;-1
InChIKeyGBYGFNLAZPUONP-UHFFFAOYSA-N
MW430.25 g/mol
LogP3.16
Rot. Bonds6

About lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride

lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride (PubChem CID 173243904) has the molecular formula C19H18F6LiO2P and a molecular weight of 430.25 g/mol. Its IUPAC name is lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride
PubChem CID173243904
Molecular FormulaC19H18F6LiO2P
Molecular Weight430.25 g/mol
Exact Mass430.11
IUPAC Namelithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride
SMILESCCC(C)Oc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C19H17F6O2P.Li.H/c1-3-11(2)27-12-7-9-13(10-8-12)28-17(26)16-14(18(20,21)22)5-4-6-15(16)19(23,24)25;;/h4-11,28H,3H2,1-2H3;;/q;+1;-1
InChIKeyGBYGFNLAZPUONP-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.25
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244777
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(2,6-dimethoxyphenyl)methanone;hydride
CID 173244207
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
CID 173245534
CID 70014116
CID 70014116
lithium;(4-butan-2-yloxyphenyl)phosphanyl-(4-tert-butyl-2,6-dimethylphenyl)methanone;hydride
CID 173244242
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride
CID 173245898
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-methylphenyl)phosphanylmethanone;hydride
CID 173245177
[2,6-bis(trifluoromethyl)phenyl]-(4-hexoxyphenyl)phosphanylmethanone
CID 18513556
lithium;(2,6-dichlorophenyl)-[4-(1-methoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173245757
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
CID 173244361
lithium [2,6-bis(trifluoromethyl)phenyl]-[2,4,6-tri(propan-2-yloxy)phenyl]phosphanylmethanone
CID 18514583
lithium;(2,6-dimethoxyphenyl)-[4-(1-ethoxyethoxy)phenyl]phosphanylmethanone;hydride
CID 173244606

Frequently Asked Questions

What is the IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride?
The IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride (CID 173243904) is lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride.
What is the SMILES notation for lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride?
The canonical SMILES for lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride is CCC(C)Oc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+].
What is the InChIKey of lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride?
The InChIKey is GBYGFNLAZPUONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6O2P.Li.H/c1-3-11(2)27-12-7-9-13(10-8-12)28-17(26)16-14(18(20,21)22)5-4-6-15(16)19(23,24)25;;/h4-11,28H,3H2,1-2H3;;/q;+1;-1.
What are the key properties of lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride?
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride has a molecular weight of 430.25 g/mol, XLogP of 3.16, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride is sourced from PubChem (CID 173243904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).