N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

C12H23F4NO — CID 55077460

IUPACN-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCC(C)C(CNC(C)(C)C)OCC(F)(F)C(F)F
InChIInChI=1S/C12H23F4NO/c1-8(2)9(6-17-11(3,4)5)18-7-12(15,16)10(13)14/h8-10,17H,6-7H2,1-5H3
InChIKeyHLKMSARCPDFCGT-UHFFFAOYSA-N
MW273.31 g/mol
LogP3.32
Rot. Bonds7

About N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine

N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (PubChem CID 55077460) has the molecular formula C12H23F4NO and a molecular weight of 273.31 g/mol. Its IUPAC name is N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
PubChem CID55077460
Molecular FormulaC12H23F4NO
Molecular Weight273.31 g/mol
Exact Mass273.17
IUPAC NameN-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
SMILESCC(C)C(CNC(C)(C)C)OCC(F)(F)C(F)F
InChIInChI=1S/C12H23F4NO/c1-8(2)9(6-17-11(3,4)5)18-7-12(15,16)10(13)14/h8-10,17H,6-7H2,1-5H3
InChIKeyHLKMSARCPDFCGT-UHFFFAOYSA-N
XLogP3.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-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

N-methyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82959124
2,3-dimethyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine
CID 88934659
2-methyl-N-[2-(trifluoromethoxy)ethyl]butan-2-amine;molecular hydrogen
CID 144110107
2-ethoxy-4,4,4-trifluoro-N-propan-2-yl-2-(2,2,2-trifluoroethyl)butan-1-amine
CID 158575551
N-[2,2-difluoro-3-(3-methylbutan-2-yloxy)propyl]-2-methylpropan-2-amine
CID 169899993
3-methoxy-2-methyl-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 178797456
2-methyl-N-propyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 55063520
N-tert-butyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine
CID 55077461
N-[2-(2,2,3,3-tetrafluoropropoxy)propyl]pentan-2-amine
CID 55092824
4-methyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]pentan-1-amine
CID 55092870
3,3-dimethyl-N-[2-(2,2,3,3-tetrafluoropropoxy)ethyl]butan-1-amine
CID 55092871
2-(2,2,3,3-tetrafluoropropoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55092918

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The IUPAC name of N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine (CID 55077460) is N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine.
What is the SMILES notation for N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The canonical SMILES for N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is CC(C)C(CNC(C)(C)C)OCC(F)(F)C(F)F.
What is the InChIKey of N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
The InChIKey is HLKMSARCPDFCGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F4NO/c1-8(2)9(6-17-11(3,4)5)18-7-12(15,16)10(13)14/h8-10,17H,6-7H2,1-5H3.
What are the key properties of N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine?
N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine has a molecular weight of 273.31 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-methyl-2-(2,2,3,3-tetrafluoropropoxy)butan-1-amine is sourced from PubChem (CID 55077460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).