6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine

C9H17F2N — CID 167281594

IUPAC6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine
SMILESC=C(C)C(N)CC(C)(C)C(F)F
InChIInChI=1S/C9H17F2N/c1-6(2)7(12)5-9(3,4)8(10)11/h7-8H,1,5,12H2,2-4H3
InChIKeyUJWUEDUHMKWINR-UHFFFAOYSA-N
MW177.24 g/mol
LogP2.57
Rot. Bonds4

About 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine

6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine (PubChem CID 167281594) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine.

Molecular Properties

Compound Name6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine
PubChem CID167281594
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC Name6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine
SMILESC=C(C)C(N)CC(C)(C)C(F)F
InChIInChI=1S/C9H17F2N/c1-6(2)7(12)5-9(3,4)8(10)11/h7-8H,1,5,12H2,2-4H3
InChIKeyUJWUEDUHMKWINR-UHFFFAOYSA-N
XLogP2.57
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine?
The IUPAC name of 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine (CID 167281594) is 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine.
What is the SMILES notation for 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine?
The canonical SMILES for 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine is C=C(C)C(N)CC(C)(C)C(F)F.
What is the InChIKey of 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine?
The InChIKey is UJWUEDUHMKWINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-6(2)7(12)5-9(3,4)8(10)11/h7-8H,1,5,12H2,2-4H3.
What are the key properties of 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine?
6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine has a molecular weight of 177.24 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-2,5,5-trimethylhex-1-en-3-amine is sourced from PubChem (CID 167281594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).