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

C8H15F2N — CID 177326354

IUPAC3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCC(C)(F)F
InChIInChI=1S/C8H15F2N/c1-7(2)11(4)6-5-8(3,9)10/h1,5-6H2,2-4H3
InChIKeyGIZCGFNTPLSVPV-UHFFFAOYSA-N
MW163.21 g/mol
LogP2.50
Rot. Bonds4

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

3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 177326354) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID177326354
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(C)CCC(C)(F)F
InChIInChI=1S/C8H15F2N/c1-7(2)11(4)6-5-8(3,9)10/h1,5-6H2,2-4H3
InChIKeyGIZCGFNTPLSVPV-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
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?
The IUPAC name of 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine (CID 177326354) is 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine is C=C(C)N(C)CCC(C)(F)F.
What is the InChIKey of 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is GIZCGFNTPLSVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N/c1-7(2)11(4)6-5-8(3,9)10/h1,5-6H2,2-4H3.
What are the key properties of 3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine?
3,3-difluoro-N-methyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.50, 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 is sourced from PubChem (CID 177326354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).