3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine

C9H16F3N — CID 58530456

IUPAC3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
SMILESC=C(NCCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7(9(10,11)12)13-6-5-8(2,3)4/h13H,1,5-6H2,2-4H3
InChIKeySRDWNWXMXPOXOT-UHFFFAOYSA-N
MW195.23 g/mol
LogP3.09
Rot. Bonds3

About 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine

3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine (PubChem CID 58530456) has the molecular formula C9H16F3N and a molecular weight of 195.23 g/mol. Its IUPAC name is 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
PubChem CID58530456
Molecular FormulaC9H16F3N
Molecular Weight195.23 g/mol
Exact Mass195.12
IUPAC Name3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine
SMILESC=C(NCCC(C)(C)C)C(F)(F)F
InChIInChI=1S/C9H16F3N/c1-7(9(10,11)12)13-6-5-8(2,3)4/h13H,1,5-6H2,2-4H3
InChIKeySRDWNWXMXPOXOT-UHFFFAOYSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.23
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine (CID 58530456) is 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine is C=C(NCCC(C)(C)C)C(F)(F)F.
What is the InChIKey of 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine?
The InChIKey is SRDWNWXMXPOXOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N/c1-7(9(10,11)12)13-6-5-8(2,3)4/h13H,1,5-6H2,2-4H3.
What are the key properties of 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine?
3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine has a molecular weight of 195.23 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(3,3,3-trifluoroprop-1-en-2-yl)butan-1-amine is sourced from PubChem (CID 58530456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).