1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine

C10H22F2N2 — CID 156820675

IUPAC1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine
SMILESCCN(C)CC(F)(F)C(C)NC(C)C
InChIInChI=1S/C10H22F2N2/c1-6-14(5)7-10(11,12)9(4)13-8(2)3/h8-9,13H,6-7H2,1-5H3
InChIKeyLGICYZWEJNHQPP-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.96
Rot. Bonds6

About 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine

1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine (PubChem CID 156820675) has the molecular formula C10H22F2N2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine
PubChem CID156820675
Molecular FormulaC10H22F2N2
Molecular Weight208.30 g/mol
Exact Mass208.18
IUPAC Name1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine
SMILESCCN(C)CC(F)(F)C(C)NC(C)C
InChIInChI=1S/C10H22F2N2/c1-6-14(5)7-10(11,12)9(4)13-8(2)3/h8-9,13H,6-7H2,1-5H3
InChIKeyLGICYZWEJNHQPP-UHFFFAOYSA-N
XLogP1.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine?
The IUPAC name of 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine (CID 156820675) is 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine.
What is the SMILES notation for 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine?
The canonical SMILES for 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine is CCN(C)CC(F)(F)C(C)NC(C)C.
What is the InChIKey of 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine?
The InChIKey is LGICYZWEJNHQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22F2N2/c1-6-14(5)7-10(11,12)9(4)13-8(2)3/h8-9,13H,6-7H2,1-5H3.
What are the key properties of 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine?
1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine has a molecular weight of 208.30 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-2,2-difluoro-1-N-methyl-3-N-propan-2-ylbutane-1,3-diamine is sourced from PubChem (CID 156820675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).