4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

C10H21F3N2O — CID 62476467

IUPAC4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H21F3N2O/c1-8(2)15(7-10(11,12)13)6-9(14)4-5-16-3/h8-9H,4-7,14H2,1-3H3
InChIKeyUAGHXXCIQCDQQY-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.62
Rot. Bonds7

About 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine

4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 62476467) has the molecular formula C10H21F3N2O and a molecular weight of 242.28 g/mol. Its IUPAC name is 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID62476467
Molecular FormulaC10H21F3N2O
Molecular Weight242.28 g/mol
Exact Mass242.16
IUPAC Name4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(CC(F)(F)F)C(C)C
InChIInChI=1S/C10H21F3N2O/c1-8(2)15(7-10(11,12)13)6-9(14)4-5-16-3/h8-9H,4-7,14H2,1-3H3
InChIKeyUAGHXXCIQCDQQY-UHFFFAOYSA-N
XLogP1.62
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 62476467) is 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is COCCC(N)CN(CC(F)(F)F)C(C)C.
What is the InChIKey of 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is UAGHXXCIQCDQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F3N2O/c1-8(2)15(7-10(11,12)13)6-9(14)4-5-16-3/h8-9H,4-7,14H2,1-3H3.
What are the key properties of 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 242.28 g/mol, XLogP of 1.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-propan-2-yl-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 62476467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).