(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine

C6H12F2N2 — CID 130291029

IUPAC(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
SMILESC=C(NCC(F)F)[C@@H](C)N
InChIInChI=1S/C6H12F2N2/c1-4(9)5(2)10-3-6(7)8/h4,6,10H,2-3,9H2,1H3/t4-/m1/s1
InChIKeyGLWQNMKAOCBIMJ-SCSAIBSYSA-N
MW150.17 g/mol
LogP0.70
Rot. Bonds4

About (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine

(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine (PubChem CID 130291029) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine.

Molecular Properties

Compound Name(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
PubChem CID130291029
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine
SMILESC=C(NCC(F)F)[C@@H](C)N
InChIInChI=1S/C6H12F2N2/c1-4(9)5(2)10-3-6(7)8/h4,6,10H,2-3,9H2,1H3/t4-/m1/s1
InChIKeyGLWQNMKAOCBIMJ-SCSAIBSYSA-N
XLogP0.70
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine?
The IUPAC name of (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine (CID 130291029) is (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine.
What is the SMILES notation for (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine?
The canonical SMILES for (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine is C=C(NCC(F)F)[C@@H](C)N.
What is the InChIKey of (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine?
The InChIKey is GLWQNMKAOCBIMJ-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-4(9)5(2)10-3-6(7)8/h4,6,10H,2-3,9H2,1H3/t4-/m1/s1.
What are the key properties of (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine?
(3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine has a molecular weight of 150.17 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-2-N-(2,2-difluoroethyl)but-1-ene-2,3-diamine is sourced from PubChem (CID 130291029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).