N-propan-2-yl-N-(trifluoromethyl)propan-2-amine

C7H14F3N — CID 15105666

IUPACN-propan-2-yl-N-(trifluoromethyl)propan-2-amine
SMILESCC(C)N(C(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-5(2)11(6(3)4)7(8,9)10/h5-6H,1-4H3
InChIKeyGBDWGDMRSMJUPH-UHFFFAOYSA-N
MW169.19 g/mol
LogP2.62
Rot. Bonds2

About N-propan-2-yl-N-(trifluoromethyl)propan-2-amine

N-propan-2-yl-N-(trifluoromethyl)propan-2-amine (PubChem CID 15105666) has the molecular formula C7H14F3N and a molecular weight of 169.19 g/mol. Its IUPAC name is N-propan-2-yl-N-(trifluoromethyl)propan-2-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-(trifluoromethyl)propan-2-amine
PubChem CID15105666
Molecular FormulaC7H14F3N
Molecular Weight169.19 g/mol
Exact Mass169.11
IUPAC NameN-propan-2-yl-N-(trifluoromethyl)propan-2-amine
SMILESCC(C)N(C(C)C)C(F)(F)F
InChIInChI=1S/C7H14F3N/c1-5(2)11(6(3)4)7(8,9)10/h5-6H,1-4H3
InChIKeyGBDWGDMRSMJUPH-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

N-Ethyl-N-(trifluoromethyl)ethanamine
CID 12654527
N,N-diisopropyl(2,2,3,3,3-pentafluoropropyl)amine
CID 11806562
3,3,3-trifluoro-N,N-di(propan-2-yl)prop-1-yn-1-amine
CID 15472877
N,N-diethyl-3,3,4,4-tetrafluorobutan-2-amine
CID 15187677
N-propan-2-yl-N-(trifluoromethylsulfanyl)propan-2-amine
CID 101674550
N-(difluoromethyl)-N-ethylethanamine
CID 10441701
N-(difluoromethyl)-N-propan-2-ylpropan-2-amine
CID 10441872
Diethyl-methyl-(trifluoromethyl)azanium
CID 12654534
Diethyl 2,2,2-trifluoroethylamine
CID 13510098
N,N-diethyl-1,1,1,2,3,3-hexafluoropropan-2-amine
CID 17955498
N-ethyl-2,2,2-trifluoro-N-methylethanamine
CID 20267142
N-methyl-N-(trifluoromethyl)cyclopropanamine
CID 20505660

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-(trifluoromethyl)propan-2-amine?
The IUPAC name of N-propan-2-yl-N-(trifluoromethyl)propan-2-amine (CID 15105666) is N-propan-2-yl-N-(trifluoromethyl)propan-2-amine.
What is the SMILES notation for N-propan-2-yl-N-(trifluoromethyl)propan-2-amine?
The canonical SMILES for N-propan-2-yl-N-(trifluoromethyl)propan-2-amine is CC(C)N(C(C)C)C(F)(F)F.
What is the InChIKey of N-propan-2-yl-N-(trifluoromethyl)propan-2-amine?
The InChIKey is GBDWGDMRSMJUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3N/c1-5(2)11(6(3)4)7(8,9)10/h5-6H,1-4H3.
What are the key properties of N-propan-2-yl-N-(trifluoromethyl)propan-2-amine?
N-propan-2-yl-N-(trifluoromethyl)propan-2-amine has a molecular weight of 169.19 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-(trifluoromethyl)propan-2-amine is sourced from PubChem (CID 15105666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).