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

C10H19F4NO — CID 103529315

IUPAC4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-7(5-9(2,3)16-4)15-6-10(13,14)8(11)12/h7-8,15H,5-6H2,1-4H3
InChIKeyZEDSCIZSHQFWML-UHFFFAOYSA-N
MW245.26 g/mol
LogP2.68
Rot. Bonds7

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

4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine (PubChem CID 103529315) has the molecular formula C10H19F4NO and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine.

Molecular Properties

Compound Name4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
PubChem CID103529315
Molecular FormulaC10H19F4NO
Molecular Weight245.26 g/mol
Exact Mass245.14
IUPAC Name4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine
SMILESCOC(C)(C)CC(C)NCC(F)(F)C(F)F
InChIInChI=1S/C10H19F4NO/c1-7(5-9(2,3)16-4)15-6-10(13,14)8(11)12/h7-8,15H,5-6H2,1-4H3
InChIKeyZEDSCIZSHQFWML-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxy-4-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
CID 43146950
4-methoxy-4-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-2-amine
CID 55260683
4-methyl-N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-2-amine
CID 61491008
4-methoxy-4-methyl-N-(3,3,3-trifluoropropyl)pentan-2-amine
CID 63226548
N-ethyl-1,1,1-trifluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 66204142
1,1,1-trifluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 66205173
1,1,1-trifluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
CID 66205958
6,6,6-trifluoro-2-methoxy-2-methyl-N-propylhexan-3-amine
CID 79197939
N-ethyl-6,6,6-trifluoro-2-methoxy-2-methylhexan-3-amine
CID 79198505
N-ethyl-1,1-difluoro-4-methoxy-2,4-dimethylpentan-2-amine
CID 80604812
1,1-difluoro-4-methoxy-2,4-dimethyl-N-propylpentan-2-amine
CID 80605536
1,1-difluoro-4-methoxy-N,2,4-trimethylpentan-2-amine
CID 80605860

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine?
The IUPAC name of 4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine (CID 103529315) is 4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine.
What is the SMILES notation for 4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine?
The canonical SMILES for 4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine is COC(C)(C)CC(C)NCC(F)(F)C(F)F.
What is the InChIKey of 4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine?
The InChIKey is ZEDSCIZSHQFWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F4NO/c1-7(5-9(2,3)16-4)15-6-10(13,14)8(11)12/h7-8,15H,5-6H2,1-4H3.
What are the key properties of 4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine?
4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine has a molecular weight of 245.26 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-4-methyl-N-(2,2,3,3-tetrafluoropropyl)pentan-2-amine is sourced from PubChem (CID 103529315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).