1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine

C10H20F3N — CID 64567643

IUPAC1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine
SMILESCNC(CCC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C10H20F3N/c1-9(2,3)7-8(14-4)5-6-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyVXDOCFZTFPIRAC-UHFFFAOYSA-N
MW211.27 g/mol
LogP3.35
Rot. Bonds4

About 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine

1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine (PubChem CID 64567643) has the molecular formula C10H20F3N and a molecular weight of 211.27 g/mol. Its IUPAC name is 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine
PubChem CID64567643
Molecular FormulaC10H20F3N
Molecular Weight211.27 g/mol
Exact Mass211.15
IUPAC Name1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine
SMILESCNC(CCC(F)(F)F)CC(C)(C)C
InChIInChI=1S/C10H20F3N/c1-9(2,3)7-8(14-4)5-6-10(11,12)13/h8,14H,5-7H2,1-4H3
InChIKeyVXDOCFZTFPIRAC-UHFFFAOYSA-N
XLogP3.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine?
The IUPAC name of 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine (CID 64567643) is 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine.
What is the SMILES notation for 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine?
The canonical SMILES for 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine is CNC(CCC(F)(F)F)CC(C)(C)C.
What is the InChIKey of 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine?
The InChIKey is VXDOCFZTFPIRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3N/c1-9(2,3)7-8(14-4)5-6-10(11,12)13/h8,14H,5-7H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine?
1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine has a molecular weight of 211.27 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N,6,6-trimethylheptan-4-amine is sourced from PubChem (CID 64567643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).