3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane

C10H21F2N — CID 177326353

IUPAC3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane
SMILESC=C(C)N(C)CCC(C)(F)F.CC
InChIInChI=1S/C8H15F2N.C2H6/c1-7(2)11(4)6-5-8(3,9)10;1-2/h1,5-6H2,2-4H3;1-2H3
InChIKeyJAGRGJJCJCRMGT-UHFFFAOYSA-N
MW193.28 g/mol
LogP3.52
Rot. Bonds4

About 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane

3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane (PubChem CID 177326353) has the molecular formula C10H21F2N and a molecular weight of 193.28 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane
PubChem CID177326353
Molecular FormulaC10H21F2N
Molecular Weight193.28 g/mol
Exact Mass193.16
IUPAC Name3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane
SMILESC=C(C)N(C)CCC(C)(F)F.CC
InChIInChI=1S/C8H15F2N.C2H6/c1-7(2)11(4)6-5-8(3,9)10;1-2/h1,5-6H2,2-4H3;1-2H3
InChIKeyJAGRGJJCJCRMGT-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.28
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane?
The IUPAC name of 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane (CID 177326353) is 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane.
What is the SMILES notation for 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane?
The canonical SMILES for 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane is C=C(C)N(C)CCC(C)(F)F.CC.
What is the InChIKey of 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane?
The InChIKey is JAGRGJJCJCRMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.C2H6/c1-7(2)11(4)6-5-8(3,9)10;1-2/h1,5-6H2,2-4H3;1-2H3.
What are the key properties of 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane?
3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane has a molecular weight of 193.28 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine;ethane is sourced from PubChem (CID 177326353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).