lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride

C19H18F6LiO2P — CID 173245534

IUPAClithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
SMILESCC(C)(C)Oc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C19H17F6O2P.Li.H/c1-17(2,3)27-11-7-9-12(10-8-11)28-16(26)15-13(18(20,21)22)5-4-6-14(15)19(23,24)25;;/h4-10,28H,1-3H3;;/q;+1;-1
InChIKeyAYGAXZVHLDPIIS-UHFFFAOYSA-N
MW430.25 g/mol
LogP3.16
Rot. Bonds4

About lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride

lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride (PubChem CID 173245534) 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-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride.

Molecular Properties

Compound Namelithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
PubChem CID173245534
Molecular FormulaC19H18F6LiO2P
Molecular Weight430.25 g/mol
Exact Mass430.11
IUPAC Namelithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride
SMILESCC(C)(C)Oc1ccc(PC(=O)c2c(C(F)(F)F)cccc2C(F)(F)F)cc1.[H-].[Li+]
InChIInChI=1S/C19H17F6O2P.Li.H/c1-17(2,3)27-11-7-9-12(10-8-11)28-16(26)15-13(18(20,21)22)5-4-6-14(15)19(23,24)25;;/h4-10,28H,1-3H3;;/q;+1;-1
InChIKeyAYGAXZVHLDPIIS-UHFFFAOYSA-N
XLogP3.16
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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-methylphenyl)phosphanylmethanone;hydride
CID 173245177
lithium (2,6-dichlorophenyl)-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
CID 18514138
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173244777
lithium;[2,6-bis(trifluoromethyl)phenyl]-(4-butan-2-yloxyphenyl)phosphanylmethanone;hydride
CID 173243904
[2,6-bis(trifluoromethyl)phenyl]-(4-hexoxyphenyl)phosphanylmethanone
CID 18513556
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4-dimethoxyphenyl)phosphanylmethanone;hydride
CID 173244361
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-(2-ethylhexoxy)phenyl]phosphanylmethanone;hydride
CID 173245898
[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanyl-(2,4,6-trimethoxyphenyl)methanone
CID 18514500
[2,6-bis(trifluoromethyl)phenyl]-(2-methylphenyl)phosphanylmethanone
CID 18514892
[4-[(2-methylpropan-2-yl)oxy]phenyl] 2-(trifluoromethyl)benzenesulfonate
CID 22593433
lithium;[2,6-bis(trifluoromethyl)phenyl]-(2,4,6-tripropoxyphenyl)phosphanylmethanone;hydride
CID 173243882
[2,6-bis(trifluoromethyl)phenyl]-phenylphosphanylmethanone;pentyl acetate
CID 158856572

Frequently Asked Questions

What is the IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
The IUPAC name of lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride (CID 173245534) is lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride.
What is the SMILES notation for lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
The canonical SMILES for lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride is CC(C)(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-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
The InChIKey is AYGAXZVHLDPIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F6O2P.Li.H/c1-17(2,3)27-11-7-9-12(10-8-11)28-16(26)15-13(18(20,21)22)5-4-6-14(15)19(23,24)25;;/h4-10,28H,1-3H3;;/q;+1;-1.
What are the key properties of lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride?
lithium;[2,6-bis(trifluoromethyl)phenyl]-[4-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride has a molecular weight of 430.25 g/mol, XLogP of 3.16, 4 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-[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone;hydride is sourced from PubChem (CID 173245534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).