1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine

C7H14F3NO — CID 105044294

IUPAC1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
SMILESCOCCC(C)C(N)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(3-4-12-2)6(11)7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyRBBVAKPCARNPBO-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.55
Rot. Bonds4

About 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine

1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine (PubChem CID 105044294) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
PubChem CID105044294
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
SMILESCOCCC(C)C(N)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(3-4-12-2)6(11)7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyRBBVAKPCARNPBO-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3,6-dimethyloctan-4-amine
CID 105044592
5-methoxy-3-methyl-1-(2,2,3,3-tetrafluoropropoxy)pentan-2-amine
CID 103475122
N-ethyl-1,1,1-trifluoro-6-methoxy-4-methyl-2-(trifluoromethyl)hexan-3-amine
CID 103312319
1,1,1-trifluoro-3,4-dimethylhexan-2-amine
CID 163739387
1-methoxy-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 115003130
4-methoxy-2-methyl-1-(2,3,4,5,6-pentafluorophenyl)butan-1-ol
CID 115836119
1,5-dimethoxy-3-methylheptan-4-amine
CID 116715297
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
[5-methoxy-3-methyl-1-[4-(trifluoromethyl)phenyl]pentan-2-yl]hydrazine
CID 105337979
1,5-dimethoxy-3-methyloctan-4-amine
CID 116718705
1,1,1-trifluorobutane-2,3-diamine
CID 130988807
[4-methoxy-2-methyl-1-[4-(trifluoromethyl)cyclohexyl]butyl]hydrazine
CID 105338042

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine (CID 105044294) is 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine is COCCC(C)C(N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine?
The InChIKey is RBBVAKPCARNPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(3-4-12-2)6(11)7(8,9)10/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine?
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine has a molecular weight of 185.19 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine is sourced from PubChem (CID 105044294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).