butan-2-yl-tert-butyl-trifluoro-λ5-phosphane

C8H18F3P — CID 14738487

IUPACbutan-2-yl-tert-butyl-trifluoro-λ5-phosphane
SMILESCCC(C)P(F)(F)(F)C(C)(C)C
InChIInChI=1S/C8H18F3P/c1-6-7(2)12(9,10,11)8(3,4)5/h7H,6H2,1-5H3
InChIKeyFORPKHUNMYAMJS-UHFFFAOYSA-N
MW202.20 g/mol
LogP4.79
Rot. Bonds2

About butan-2-yl-tert-butyl-trifluoro-λ5-phosphane

butan-2-yl-tert-butyl-trifluoro-λ5-phosphane (PubChem CID 14738487) has the molecular formula C8H18F3P and a molecular weight of 202.20 g/mol. Its IUPAC name is butan-2-yl-tert-butyl-trifluoro-λ5-phosphane.

Molecular Properties

Compound Namebutan-2-yl-tert-butyl-trifluoro-λ5-phosphane
PubChem CID14738487
Molecular FormulaC8H18F3P
Molecular Weight202.20 g/mol
Exact Mass202.11
IUPAC Namebutan-2-yl-tert-butyl-trifluoro-λ5-phosphane
SMILESCCC(C)P(F)(F)(F)C(C)(C)C
InChIInChI=1S/C8H18F3P/c1-6-7(2)12(9,10,11)8(3,4)5/h7H,6H2,1-5H3
InChIKeyFORPKHUNMYAMJS-UHFFFAOYSA-N
XLogP4.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butan-2-yl-tert-butyl-trifluoro-λ5-phosphane?
The IUPAC name of butan-2-yl-tert-butyl-trifluoro-λ5-phosphane (CID 14738487) is butan-2-yl-tert-butyl-trifluoro-λ5-phosphane.
What is the SMILES notation for butan-2-yl-tert-butyl-trifluoro-λ5-phosphane?
The canonical SMILES for butan-2-yl-tert-butyl-trifluoro-λ5-phosphane is CCC(C)P(F)(F)(F)C(C)(C)C.
What is the InChIKey of butan-2-yl-tert-butyl-trifluoro-λ5-phosphane?
The InChIKey is FORPKHUNMYAMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18F3P/c1-6-7(2)12(9,10,11)8(3,4)5/h7H,6H2,1-5H3.
What are the key properties of butan-2-yl-tert-butyl-trifluoro-λ5-phosphane?
butan-2-yl-tert-butyl-trifluoro-λ5-phosphane has a molecular weight of 202.20 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl-tert-butyl-trifluoro-λ5-phosphane is sourced from PubChem (CID 14738487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).