[2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane

C21H20F9P — CID 130460276

IUPAC[2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane
SMILESCCCCC(C)c1ccc(C(F)(F)F)cc1Pc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C21H20F9P/c1-3-4-5-12(2)15-8-6-13(19(22,23)24)10-17(15)31-18-11-14(20(25,26)27)7-9-16(18)21(28,29)30/h6-12,31H,3-5H2,1-2H3
InChIKeySKIDSMSDIGQPCD-UHFFFAOYSA-N
MW474.35 g/mol
LogP7.67
Rot. Bonds6

About [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane

[2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane (PubChem CID 130460276) has the molecular formula C21H20F9P and a molecular weight of 474.35 g/mol. Its IUPAC name is [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane.

Molecular Properties

Compound Name[2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane
PubChem CID130460276
Molecular FormulaC21H20F9P
Molecular Weight474.35 g/mol
Exact Mass474.12
IUPAC Name[2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane
SMILESCCCCC(C)c1ccc(C(F)(F)F)cc1Pc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C21H20F9P/c1-3-4-5-12(2)15-8-6-13(19(22,23)24)10-17(15)31-18-11-14(20(25,26)27)7-9-16(18)21(28,29)30/h6-12,31H,3-5H2,1-2H3
InChIKeySKIDSMSDIGQPCD-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.35
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-icosan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 174732520
2-heptan-2-yl-5-(trifluoromethyl)benzonitrile
CID 175989174
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
1-heptan-2-yl-4-(trifluoromethyl)benzene
CID 167049973
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]-2-methylbutan-1-amine
CID 171210265
3-hexan-2-yl-5-(trifluoromethyl)pyridine
CID 134266462
(1R)-1-[2,4-bis(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171210222
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 171209582
(1R,2S)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]hexan-2-ol
CID 171263245
(1S,2R)-1-amino-1-[2-fluoro-4-(trifluoromethyl)phenyl]hexan-2-ol
CID 171268919
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine;hydrochloride
CID 171209583
4-pentan-2-yl-3-(trifluoromethyl)benzonitrile
CID 146382779

Frequently Asked Questions

What is the IUPAC name of [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane?
The IUPAC name of [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane (CID 130460276) is [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane.
What is the SMILES notation for [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane?
The canonical SMILES for [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane is CCCCC(C)c1ccc(C(F)(F)F)cc1Pc1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane?
The InChIKey is SKIDSMSDIGQPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F9P/c1-3-4-5-12(2)15-8-6-13(19(22,23)24)10-17(15)31-18-11-14(20(25,26)27)7-9-16(18)21(28,29)30/h6-12,31H,3-5H2,1-2H3.
What are the key properties of [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane?
[2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane has a molecular weight of 474.35 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(trifluoromethyl)phenyl]-[2-hexan-2-yl-5-(trifluoromethyl)phenyl]phosphane is sourced from PubChem (CID 130460276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).