(1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane

C12H23F4P — CID 170023682

IUPAC(1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane
SMILESCC(C)(C)C(C)(C)C(F)(P)C(C)(C)C(F)(F)F
InChIInChI=1S/C12H23F4P/c1-8(2,3)9(4,5)11(13,17)10(6,7)12(14,15)16/h17H2,1-7H3
InChIKeyHOEWEUVDXXFTKQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP5.19
Rot. Bonds2

About (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane

(1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane (PubChem CID 170023682) has the molecular formula C12H23F4P and a molecular weight of 274.28 g/mol. Its IUPAC name is (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane.

Molecular Properties

Compound Name(1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane
PubChem CID170023682
Molecular FormulaC12H23F4P
Molecular Weight274.28 g/mol
Exact Mass274.15
IUPAC Name(1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane
SMILESCC(C)(C)C(C)(C)C(F)(P)C(C)(C)C(F)(F)F
InChIInChI=1S/C12H23F4P/c1-8(2,3)9(4,5)11(13,17)10(6,7)12(14,15)16/h17H2,1-7H3
InChIKeyHOEWEUVDXXFTKQ-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.28
LogP ≤ 55.19
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

2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane
CID 158771443
4,4-difluoro-2,2,3,3-tetramethylhexane
CID 59226998
2-fluoro-2,3,3,4,4,5,5-heptamethylhexane
CID 143853792
1,1,1,2-tetrafluoro-2,3,3-trimethylbutane
CID 88943040
1,1,3,3,3-pentafluoro-2,2-dimethylpropan-1-ol;rutherfordium
CID 59895744
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21-tetracontamethyldocosane
CID 123795334
2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methylsulfonylmethane
CID 158061482
1,1,1-trifluoroethane
CID 9868
1,1,1-trifluoroethane
CID 91327996
2,2-difluoropropane
CID 160894634
ethane;1,1,1,2,2,3,3-heptafluorobutane
CID 170760942
(2R)-2-bromo-1,1,1-trifluoro-2-iodopropane
CID 95757028

Frequently Asked Questions

What is the IUPAC name of (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane?
The IUPAC name of (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane (CID 170023682) is (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane.
What is the SMILES notation for (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane?
The canonical SMILES for (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane is CC(C)(C)C(C)(C)C(F)(P)C(C)(C)C(F)(F)F.
What is the InChIKey of (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane?
The InChIKey is HOEWEUVDXXFTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F4P/c1-8(2,3)9(4,5)11(13,17)10(6,7)12(14,15)16/h17H2,1-7H3.
What are the key properties of (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane?
(1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane has a molecular weight of 274.28 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,3-tetrafluoro-2,2,4,4,5,5-hexamethylhexan-3-yl)phosphane is sourced from PubChem (CID 170023682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).