(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine

C8H15F2N — CID 134269934

IUPAC(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine
SMILESC=C[C@@H](C)N(C)CC(C)(F)F
InChIInChI=1S/C8H15F2N/c1-5-7(2)11(4)6-8(3,9)10/h5,7H,1,6H2,2-4H3/t7-/m1/s1
InChIKeyYRHPNWVTRWLMBU-SSDOTTSWSA-N
MW163.21 g/mol
LogP2.15
Rot. Bonds4

About (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine

(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine (PubChem CID 134269934) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine.

Molecular Properties

Compound Name(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine
PubChem CID134269934
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine
SMILESC=C[C@@H](C)N(C)CC(C)(F)F
InChIInChI=1S/C8H15F2N/c1-5-7(2)11(4)6-8(3,9)10/h5,7H,1,6H2,2-4H3/t7-/m1/s1
InChIKeyYRHPNWVTRWLMBU-SSDOTTSWSA-N
XLogP2.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine?
The IUPAC name of (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine (CID 134269934) is (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine.
What is the SMILES notation for (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine?
The canonical SMILES for (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine is C=C[C@@H](C)N(C)CC(C)(F)F.
What is the InChIKey of (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine?
The InChIKey is YRHPNWVTRWLMBU-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F2N/c1-5-7(2)11(4)6-8(3,9)10/h5,7H,1,6H2,2-4H3/t7-/m1/s1.
What are the key properties of (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine?
(2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,2-difluoropropyl)-N-methylbut-3-en-2-amine is sourced from PubChem (CID 134269934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).