4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine

C11H19F6NO — CID 103312155

IUPAC4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine
SMILESCCCNC(COC(C)C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-4-5-18-8(6-19-7(2)3)9(10(12,13)14)11(15,16)17/h7-9,18H,4-6H2,1-3H3
InChIKeyWFOKULWEBPRRKD-UHFFFAOYSA-N
MW295.27 g/mol
LogP3.52
Rot. Bonds7

About 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine

4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine (PubChem CID 103312155) has the molecular formula C11H19F6NO and a molecular weight of 295.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine
PubChem CID103312155
Molecular FormulaC11H19F6NO
Molecular Weight295.27 g/mol
Exact Mass295.14
IUPAC Name4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine
SMILESCCCNC(COC(C)C)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H19F6NO/c1-4-5-18-8(6-19-7(2)3)9(10(12,13)14)11(15,16)17/h7-9,18H,4-6H2,1-3H3
InChIKeyWFOKULWEBPRRKD-UHFFFAOYSA-N
XLogP3.52
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
CID 79617443
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103311806
3-ethoxy-4-methyl-1-propan-2-yloxy-N-propylpentan-2-amine
CID 116721716
6,6,6-trifluoro-1-propan-2-yloxy-N-propylhexan-2-amine
CID 105174504
1,1,1-trifluoro-5-methylidene-N-propyl-2-(trifluoromethyl)heptan-3-amine
CID 103312115
1,1,1-trifluoro-N-propyl-2-(trifluoromethyl)oct-7-yn-3-amine
CID 103312265
1-methylsulfanyl-3-propan-2-yloxy-N-propylpropan-2-amine
CID 79575196
3-N,3-N,3-trimethyl-1-propan-2-yloxy-2-N-propylbutane-2,3-diamine
CID 79573876
1-propan-2-yloxy-N-propyl-3-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 105013266
4-methyl-6-propan-2-yloxy-N-propylhexan-3-amine
CID 63560225
4,4,4-trifluoro-N-propyl-1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)butan-2-amine
CID 103312166
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine (CID 103312155) is 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine is CCCNC(COC(C)C)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine?
The InChIKey is WFOKULWEBPRRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F6NO/c1-4-5-18-8(6-19-7(2)3)9(10(12,13)14)11(15,16)17/h7-9,18H,4-6H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine?
4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine has a molecular weight of 295.27 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-propan-2-yloxy-N-propyl-3-(trifluoromethyl)butan-2-amine is sourced from PubChem (CID 103312155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).