(E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine

C8H15F2N — CID 162597961

IUPAC(E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine
SMILESCC(C)/C=C/C(F)(F)[C@@H](C)N
InChIInChI=1S/C8H15F2N/c1-6(2)4-5-8(9,10)7(3)11/h4-7H,11H2,1-3H3/b5-4+/t7-/m1/s1
InChIKeyIKPOIWXLRYCQLX-SMMXGFFBSA-N
MW163.21 g/mol
LogP2.18
Rot. Bonds3

About (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine

(E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine (PubChem CID 162597961) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine.

Molecular Properties

Compound Name(E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine
PubChem CID162597961
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine
SMILESCC(C)/C=C/C(F)(F)[C@@H](C)N
InChIInChI=1S/C8H15F2N/c1-6(2)4-5-8(9,10)7(3)11/h4-7H,11H2,1-3H3/b5-4+/t7-/m1/s1
InChIKeyIKPOIWXLRYCQLX-SMMXGFFBSA-N
XLogP2.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.18
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 (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine?
The IUPAC name of (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine (CID 162597961) is (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine.
What is the SMILES notation for (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine?
The canonical SMILES for (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine is CC(C)/C=C/C(F)(F)[C@@H](C)N.
What is the InChIKey of (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine?
The InChIKey is IKPOIWXLRYCQLX-SMMXGFFBSA-N. The full InChI is InChI=1S/C8H15F2N/c1-6(2)4-5-8(9,10)7(3)11/h4-7H,11H2,1-3H3/b5-4+/t7-/m1/s1.
What are the key properties of (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine?
(E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine has a molecular weight of 163.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-3,3-difluoro-6-methylhept-4-en-2-amine is sourced from PubChem (CID 162597961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).