4,6,6-trifluoro-2-methylhept-4-en-3-amine

C8H14F3N — CID 139360091

IUPAC4,6,6-trifluoro-2-methylhept-4-en-3-amine
SMILESCC(C)C(N)C(F)=CC(C)(F)F
InChIInChI=1S/C8H14F3N/c1-5(2)7(12)6(9)4-8(3,10)11/h4-5,7H,12H2,1-3H3
InChIKeySPSMJCANXBGUNX-UHFFFAOYSA-N
MW181.20 g/mol
LogP2.48
Rot. Bonds3

About 4,6,6-trifluoro-2-methylhept-4-en-3-amine

4,6,6-trifluoro-2-methylhept-4-en-3-amine (PubChem CID 139360091) has the molecular formula C8H14F3N and a molecular weight of 181.20 g/mol. Its IUPAC name is 4,6,6-trifluoro-2-methylhept-4-en-3-amine.

Molecular Properties

Compound Name4,6,6-trifluoro-2-methylhept-4-en-3-amine
PubChem CID139360091
Molecular FormulaC8H14F3N
Molecular Weight181.20 g/mol
Exact Mass181.11
IUPAC Name4,6,6-trifluoro-2-methylhept-4-en-3-amine
SMILESCC(C)C(N)C(F)=CC(C)(F)F
InChIInChI=1S/C8H14F3N/c1-5(2)7(12)6(9)4-8(3,10)11/h4-5,7H,12H2,1-3H3
InChIKeySPSMJCANXBGUNX-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.20
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trifluoro-2-methylhept-4-en-3-amine?
The IUPAC name of 4,6,6-trifluoro-2-methylhept-4-en-3-amine (CID 139360091) is 4,6,6-trifluoro-2-methylhept-4-en-3-amine.
What is the SMILES notation for 4,6,6-trifluoro-2-methylhept-4-en-3-amine?
The canonical SMILES for 4,6,6-trifluoro-2-methylhept-4-en-3-amine is CC(C)C(N)C(F)=CC(C)(F)F.
What is the InChIKey of 4,6,6-trifluoro-2-methylhept-4-en-3-amine?
The InChIKey is SPSMJCANXBGUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3N/c1-5(2)7(12)6(9)4-8(3,10)11/h4-5,7H,12H2,1-3H3.
What are the key properties of 4,6,6-trifluoro-2-methylhept-4-en-3-amine?
4,6,6-trifluoro-2-methylhept-4-en-3-amine has a molecular weight of 181.20 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trifluoro-2-methylhept-4-en-3-amine is sourced from PubChem (CID 139360091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).