2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine

C9H18F3N — CID 103779068

IUPAC2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine
SMILESCC(CC(F)(F)F)NCC(C)(C)C
InChIInChI=1S/C9H18F3N/c1-7(5-9(10,11)12)13-6-8(2,3)4/h7,13H,5-6H2,1-4H3
InChIKeyCDBDGHKBVXALRR-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.96
Rot. Bonds3

About 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine

2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine (PubChem CID 103779068) has the molecular formula C9H18F3N and a molecular weight of 197.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine
PubChem CID103779068
Molecular FormulaC9H18F3N
Molecular Weight197.24 g/mol
Exact Mass197.14
IUPAC Name2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine
SMILESCC(CC(F)(F)F)NCC(C)(C)C
InChIInChI=1S/C9H18F3N/c1-7(5-9(10,11)12)13-6-8(2,3)4/h7,13H,5-6H2,1-4H3
InChIKeyCDBDGHKBVXALRR-UHFFFAOYSA-N
XLogP2.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-N-(2,2-dimethylpropyl)propane-1,2-diamine
CID 104868190
N-but-2-ynyl-4,4,4-trifluorobutan-2-amine
CID 103905896
2-N,2-N-dimethyl-1-N-(4,4,4-trifluorobutan-2-yl)propane-1,2-diamine
CID 115717067
3-methyl-3-(4,4,4-trifluorobutan-2-ylamino)butan-2-ol
CID 115922978
N',N'-diethyl-N-(4,4,4-trifluorobutan-2-yl)ethane-1,2-diamine
CID 115705887
1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107859563
4-methoxy-N-(2-methoxy-2-methylpropyl)-4-methylpentan-2-amine
CID 115728657
N-(2-cyclobutylethyl)-4,4,4-trifluorobutan-2-amine
CID 115893436
N-(2-cyclohexylethyl)-4,4,4-trifluorobutan-2-amine
CID 115708422
N-ethyl-2-(4,4,4-trifluorobutan-2-ylamino)acetamide
CID 103776091
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
4,4,4-trifluoro-N-[[4-(trifluoromethyl)phenyl]methyl]butan-2-amine
CID 103776427

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine (CID 103779068) is 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine is CC(CC(F)(F)F)NCC(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine?
The InChIKey is CDBDGHKBVXALRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3N/c1-7(5-9(10,11)12)13-6-8(2,3)4/h7,13H,5-6H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine?
2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(4,4,4-trifluorobutan-2-yl)propan-1-amine is sourced from PubChem (CID 103779068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).