1,1,1,7,7,7-hexafluoroheptan-4-amine

C7H11F6N — CID 79954768

IUPAC1,1,1,7,7,7-hexafluoroheptan-4-amine
SMILESNC(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C7H11F6N/c8-6(9,10)3-1-5(14)2-4-7(11,12)13/h5H,1-4,14H2
InChIKeyCMKLGIWQGMKWBL-UHFFFAOYSA-N
MW223.16 g/mol
LogP3.00
Rot. Bonds4

About 1,1,1,7,7,7-hexafluoroheptan-4-amine

1,1,1,7,7,7-hexafluoroheptan-4-amine (PubChem CID 79954768) has the molecular formula C7H11F6N and a molecular weight of 223.16 g/mol. Its IUPAC name is 1,1,1,7,7,7-hexafluoroheptan-4-amine.

Molecular Properties

Compound Name1,1,1,7,7,7-hexafluoroheptan-4-amine
PubChem CID79954768
Molecular FormulaC7H11F6N
Molecular Weight223.16 g/mol
Exact Mass223.08
IUPAC Name1,1,1,7,7,7-hexafluoroheptan-4-amine
SMILESNC(CCC(F)(F)F)CCC(F)(F)F
InChIInChI=1S/C7H11F6N/c8-6(9,10)3-1-5(14)2-4-7(11,12)13/h5H,1-4,14H2
InChIKeyCMKLGIWQGMKWBL-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.16
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,7,7,7-hexafluoroheptan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1,7,7,7-hexafluoroheptan-4-amine?
The IUPAC name of 1,1,1,7,7,7-hexafluoroheptan-4-amine (CID 79954768) is 1,1,1,7,7,7-hexafluoroheptan-4-amine.
What is the SMILES notation for 1,1,1,7,7,7-hexafluoroheptan-4-amine?
The canonical SMILES for 1,1,1,7,7,7-hexafluoroheptan-4-amine is NC(CCC(F)(F)F)CCC(F)(F)F.
What is the InChIKey of 1,1,1,7,7,7-hexafluoroheptan-4-amine?
The InChIKey is CMKLGIWQGMKWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6N/c8-6(9,10)3-1-5(14)2-4-7(11,12)13/h5H,1-4,14H2.
What are the key properties of 1,1,1,7,7,7-hexafluoroheptan-4-amine?
1,1,1,7,7,7-hexafluoroheptan-4-amine has a molecular weight of 223.16 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,7,7,7-hexafluoroheptan-4-amine is sourced from PubChem (CID 79954768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).