4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine

C9H17F4N — CID 158755562

IUPAC4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)(C)CC(F)(F)C(F)F
InChIInChI=1S/C9H17F4N/c1-6(2)14-8(3,4)5-9(12,13)7(10)11/h6-7,14H,5H2,1-4H3
InChIKeyCGSVYLMUBNQTFX-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.05
Rot. Bonds5

About 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine

4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine (PubChem CID 158755562) has the molecular formula C9H17F4N and a molecular weight of 215.23 g/mol. Its IUPAC name is 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine.

Molecular Properties

Compound Name4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine
PubChem CID158755562
Molecular FormulaC9H17F4N
Molecular Weight215.23 g/mol
Exact Mass215.13
IUPAC Name4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine
SMILESCC(C)NC(C)(C)CC(F)(F)C(F)F
InChIInChI=1S/C9H17F4N/c1-6(2)14-8(3,4)5-9(12,13)7(10)11/h6-7,14H,5H2,1-4H3
InChIKeyCGSVYLMUBNQTFX-UHFFFAOYSA-N
XLogP3.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Pentane, 2,2,3,3,4,4-hexafluoro-1,5-bisisopropylamino-
CID 101055996
Pentane, 1,5-bis-t-butylamino-2,2,3,3,4,4-hexafluoro-
CID 171384884
1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-(2-methylpropyl)pentan-1-amine
CID 19761945
1,1,2,3,3,4,4,5,5,5-decafluoro-2-methyl-N-propylpentan-1-amine
CID 19761948
1,1,2,3,3,4,5,5,5-nonafluoro-2,4-dimethyl-N-propylpentan-1-amine
CID 19761954
1,1,2,3,3,4,4,5,5,5-decafluoro-N-(2-methylpropyl)-2-(trifluoromethyl)pentan-1-amine
CID 19761974
1,1,1-trifluoro-4-methyl-N-propan-2-ylpentan-3-amine
CID 21063755
2-methyl-N-(1,1,2,2,2-pentafluoroethyl)pentan-1-amine
CID 22637562
(4-Methylpentan-2-yl)(2,2,2-trifluoroethyl)amine
CID 24707346
(2R)-5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
CID 28371045
5-methyl-N-(2,2,2-trifluoroethyl)hexan-2-amine
CID 43185242
2-methyl-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 43200466

Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine?
The IUPAC name of 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine (CID 158755562) is 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine.
What is the SMILES notation for 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine?
The canonical SMILES for 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine is CC(C)NC(C)(C)CC(F)(F)C(F)F.
What is the InChIKey of 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine?
The InChIKey is CGSVYLMUBNQTFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4N/c1-6(2)14-8(3,4)5-9(12,13)7(10)11/h6-7,14H,5H2,1-4H3.
What are the key properties of 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine?
4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine has a molecular weight of 215.23 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetrafluoro-2-methyl-N-propan-2-ylpentan-2-amine is sourced from PubChem (CID 158755562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).