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

C10H19F3N2O — CID 62476307

IUPAC1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O/c1-16-5-4-8(14)6-15(9-2-3-9)7-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyVCJNAPZBEVEXAV-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.38
Rot. Bonds7

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

1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (PubChem CID 62476307) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
PubChem CID62476307
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
SMILESCOCCC(N)CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C10H19F3N2O/c1-16-5-4-8(14)6-15(9-2-3-9)7-10(11,12)13/h8-9H,2-7,14H2,1H3
InChIKeyVCJNAPZBEVEXAV-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The IUPAC name of 1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine (CID 62476307) is 1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is COCCC(N)CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
The InChIKey is VCJNAPZBEVEXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-16-5-4-8(14)6-15(9-2-3-9)7-10(11,12)13/h8-9H,2-7,14H2,1H3.
What are the key properties of 1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine?
1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-4-methoxy-1-N-(2,2,2-trifluoroethyl)butane-1,2-diamine is sourced from PubChem (CID 62476307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).