1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine

C10H21F3N2O — CID 82948918

IUPAC1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine
SMILESCOCCN(C(C)C)C(C(C)N)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-7(2)15(5-6-16-4)9(8(3)14)10(11,12)13/h7-9H,5-6,14H2,1-4H3
InChIKeyIMSSNWIAIQMHAJ-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.62
Rot. Bonds6

About 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine

1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine (PubChem CID 82948918) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine.

Molecular Properties

Compound Name1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine
PubChem CID82948918
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine
SMILESCOCCN(C(C)C)C(C(C)N)C(F)(F)F
InChIInChI=1S/C10H21F3N2O/c1-7(2)15(5-6-16-4)9(8(3)14)10(11,12)13/h7-9H,5-6,14H2,1-4H3
InChIKeyIMSSNWIAIQMHAJ-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-bromophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82949019
1-(3-fluorophenyl)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 82948540
3-amino-2-[bis(2-methoxyethyl)amino]butan-1-ol
CID 64899164
1,1,1-trifluoro-3-[2-methoxyethyl(propan-2-yl)amino]propan-2-ol
CID 82960184
3-N-(3-methoxypropyl)-3-N,4,4-trimethylpentane-2,3-diamine
CID 62985674
4,4,4-trifluoro-3-(3-methoxypropylsulfanyl)butan-2-amine
CID 63856103
2-N-(2-methoxyethyl)-1-N-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 82952553
(2R)-1-N-(2-methoxyethyl)-1-N-propan-2-ylpropane-1,2-diamine
CID 103934791
2-[2-[(3-amino-1,1,1-trifluoropropan-2-yl)-propan-2-ylamino]ethoxy]ethanol
CID 114276185
1-methoxy-3-(2-methoxyethoxy)-N-(2-methoxyethyl)-N-propan-2-ylpropan-2-amine
CID 176738256
3-N-ethyl-3-N-(2-methoxyethyl)butane-2,3-diamine
CID 61448111
1,1,1-trifluoro-5-methoxy-3-methylpentan-2-amine
CID 105044294

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine?
The IUPAC name of 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine (CID 82948918) is 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine.
What is the SMILES notation for 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine?
The canonical SMILES for 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine is COCCN(C(C)C)C(C(C)N)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine?
The InChIKey is IMSSNWIAIQMHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-7(2)15(5-6-16-4)9(8(3)14)10(11,12)13/h7-9H,5-6,14H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine?
1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-N-(2-methoxyethyl)-2-N-propan-2-ylbutane-2,3-diamine is sourced from PubChem (CID 82948918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).