4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine

C9H17F4N — CID 103529281

IUPAC4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
SMILESCC(C)CC(C)NCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4N/c1-6(2)4-7(3)14-5-9(12,13)8(10)11/h6-8,14H,4-5H2,1-3H3
InChIKeyBMKFKUSTEBZHAZ-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.91
Rot. Bonds6

About 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine

4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine (PubChem CID 103529281) has the molecular formula C9H17F4N and a molecular weight of 215.23 g/mol. Its IUPAC name is 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
PubChem CID103529281
Molecular FormulaC9H17F4N
Molecular Weight215.23 g/mol
Exact Mass215.13
IUPAC Name4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
SMILESCC(C)CC(C)NCC(F)(F)C(F)F
InChIInChI=1S/C9H17F4N/c1-6(2)4-7(3)14-5-9(12,13)8(10)11/h6-8,14H,4-5H2,1-3H3
InChIKeyBMKFKUSTEBZHAZ-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1',3,3'-Tetramethyldibutylamine
CID 96012
N-Ethyl-1-amino-1,3-dimethylbutane
CID 39359
(1-Cyclopropylethyl)(2,2,2-trifluoroethyl)amine
CID 3838271
Pentane, 2,2,3,3,4,4-hexafluoro-1,5-bisisopropylamino-
CID 101055996
4-methyl-N-propylpentan-2-amine
CID 24702983
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
N-(1-fluoropropan-2-yl)-2,6-dimethylheptan-4-amine
CID 21355547
3-methyl-N-(3,3,3-trifluoropropyl)butan-1-amine
CID 21974230

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine?
The IUPAC name of 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine (CID 103529281) is 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine.
What is the SMILES notation for 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine?
The canonical SMILES for 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine is CC(C)CC(C)NCC(F)(F)C(F)F.
What is the InChIKey of 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine?
The InChIKey is BMKFKUSTEBZHAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F4N/c1-6(2)4-7(3)14-5-9(12,13)8(10)11/h6-8,14H,4-5H2,1-3H3.
What are the key properties of 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine?
4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine has a molecular weight of 215.23 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine is sourced from PubChem (CID 103529281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).