(E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine

C8H15F2N — CID 129156684

IUPAC(E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine
SMILESCC/C=C(/F)CC(F)N(C)C
InChIInChI=1S/C8H15F2N/c1-4-5-7(9)6-8(10)11(2)3/h5,8H,4,6H2,1-3H3/b7-5+
InChIKeyQBMCIBOMZYFARV-FNORWQNLSA-N
MW163.21 g/mol
LogP2.50
Rot. Bonds4

About (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine

(E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine (PubChem CID 129156684) has the molecular formula C8H15F2N and a molecular weight of 163.21 g/mol. Its IUPAC name is (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine.

Molecular Properties

Compound Name(E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine
PubChem CID129156684
Molecular FormulaC8H15F2N
Molecular Weight163.21 g/mol
Exact Mass163.12
IUPAC Name(E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine
SMILESCC/C=C(/F)CC(F)N(C)C
InChIInChI=1S/C8H15F2N/c1-4-5-7(9)6-8(10)11(2)3/h5,8H,4,6H2,1-3H3/b7-5+
InChIKeyQBMCIBOMZYFARV-FNORWQNLSA-N
XLogP2.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.21
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799112
5-fluoro-1-methyl-3,6-dihydro-2H-pyridine
CID 58799114
6,6,6-trifluoro-N,4-dimethyl-N-propylhex-3-en-1-amine
CID 123519237
5-fluoro-1-propyl-3,6-dihydro-2H-pyridine
CID 127741808
1-(1,2-difluoroprop-2-enyl)-3,6-dihydro-2H-pyridine
CID 145335485
1-ethyl-5-fluoro-3,6-dihydro-2H-pyridine
CID 151537795
6,6-difluoro-1-methyl-3,7-dihydro-2H-azepine
CID 166157341
4-Fluoro-1-methyl-2,3,6,7-tetrahydroazepine
CID 166157382
1-Ethyl-4-fluoro-2,3,6,7-tetrahydroazepine
CID 166157459
3-Fluoro-1-methyl-2,3,6,7-tetrahydroazepine
CID 166157541
6,6-difluoro-1-methyl-3,7-dihydro-2H-azepine;ethane
CID 166157616
(E)-3-fluoro-N,N-dimethylpent-2-en-1-amine
CID 168225096

Frequently Asked Questions

What is the IUPAC name of (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine?
The IUPAC name of (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine (CID 129156684) is (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine.
What is the SMILES notation for (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine?
The canonical SMILES for (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine is CC/C=C(/F)CC(F)N(C)C.
What is the InChIKey of (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine?
The InChIKey is QBMCIBOMZYFARV-FNORWQNLSA-N. The full InChI is InChI=1S/C8H15F2N/c1-4-5-7(9)6-8(10)11(2)3/h5,8H,4,6H2,1-3H3/b7-5+.
What are the key properties of (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine?
(E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine has a molecular weight of 163.21 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,3-difluoro-N,N-dimethylhex-3-en-1-amine is sourced from PubChem (CID 129156684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).