2,2,4,4,6,6-hexafluoroheptan-3-amine

C7H11F6N — CID 20697793

IUPAC2,2,4,4,6,6-hexafluoroheptan-3-amine
SMILESCC(F)(F)CC(F)(F)C(N)C(C)(F)F
InChIInChI=1S/C7H11F6N/c1-5(8,9)3-7(12,13)4(14)6(2,10)11/h4H,3,14H2,1-2H3
InChIKeyVPUCGKCAHIHHMA-UHFFFAOYSA-N
MW223.16 g/mol
LogP2.65
Rot. Bonds4

About 2,2,4,4,6,6-hexafluoroheptan-3-amine

2,2,4,4,6,6-hexafluoroheptan-3-amine (PubChem CID 20697793) has the molecular formula C7H11F6N and a molecular weight of 223.16 g/mol. Its IUPAC name is 2,2,4,4,6,6-hexafluoroheptan-3-amine.

Molecular Properties

Compound Name2,2,4,4,6,6-hexafluoroheptan-3-amine
PubChem CID20697793
Molecular FormulaC7H11F6N
Molecular Weight223.16 g/mol
Exact Mass223.08
IUPAC Name2,2,4,4,6,6-hexafluoroheptan-3-amine
SMILESCC(F)(F)CC(F)(F)C(N)C(C)(F)F
InChIInChI=1S/C7H11F6N/c1-5(8,9)3-7(12,13)4(14)6(2,10)11/h4H,3,14H2,1-2H3
InChIKeyVPUCGKCAHIHHMA-UHFFFAOYSA-N
XLogP2.65
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 ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,6,6-hexafluoroheptan-3-amine?
The IUPAC name of 2,2,4,4,6,6-hexafluoroheptan-3-amine (CID 20697793) is 2,2,4,4,6,6-hexafluoroheptan-3-amine.
What is the SMILES notation for 2,2,4,4,6,6-hexafluoroheptan-3-amine?
The canonical SMILES for 2,2,4,4,6,6-hexafluoroheptan-3-amine is CC(F)(F)CC(F)(F)C(N)C(C)(F)F.
What is the InChIKey of 2,2,4,4,6,6-hexafluoroheptan-3-amine?
The InChIKey is VPUCGKCAHIHHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F6N/c1-5(8,9)3-7(12,13)4(14)6(2,10)11/h4H,3,14H2,1-2H3.
What are the key properties of 2,2,4,4,6,6-hexafluoroheptan-3-amine?
2,2,4,4,6,6-hexafluoroheptan-3-amine has a molecular weight of 223.16 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,6,6-hexafluoroheptan-3-amine is sourced from PubChem (CID 20697793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).