4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine

C6H10F3N — CID 163824019

IUPAC4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine
SMILESCNC(C)=C(C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(5(2)10-3)6(7,8)9/h10H,1-3H3
InChIKeyNXVSZURTIKFQOG-UHFFFAOYSA-N
MW153.15 g/mol
LogP2.06
Rot. Bonds1

About 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine

4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine (PubChem CID 163824019) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine
PubChem CID163824019
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine
SMILESCNC(C)=C(C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(5(2)10-3)6(7,8)9/h10H,1-3H3
InChIKeyNXVSZURTIKFQOG-UHFFFAOYSA-N
XLogP2.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine?
The IUPAC name of 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine (CID 163824019) is 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine is CNC(C)=C(C)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine?
The InChIKey is NXVSZURTIKFQOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3N/c1-4(5(2)10-3)6(7,8)9/h10H,1-3H3.
What are the key properties of 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine?
4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine has a molecular weight of 153.15 g/mol, XLogP of 2.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N,3-dimethylbut-2-en-2-amine is sourced from PubChem (CID 163824019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).