(E,2S)-N-ethyl-3-fluorohex-3-en-2-amine

C8H16FN — CID 139323857

IUPAC(E,2S)-N-ethyl-3-fluorohex-3-en-2-amine
SMILESCC/C=C(/F)[C@H](C)NCC
InChIInChI=1S/C8H16FN/c1-4-6-8(9)7(3)10-5-2/h6-7,10H,4-5H2,1-3H3/b8-6+/t7-/m0/s1
InChIKeySZOYYORDGBPUST-DGUDBNDOSA-N
MW145.22 g/mol
LogP2.25
Rot. Bonds4

About (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine

(E,2S)-N-ethyl-3-fluorohex-3-en-2-amine (PubChem CID 139323857) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine.

Molecular Properties

Compound Name(E,2S)-N-ethyl-3-fluorohex-3-en-2-amine
PubChem CID139323857
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(E,2S)-N-ethyl-3-fluorohex-3-en-2-amine
SMILESCC/C=C(/F)[C@H](C)NCC
InChIInChI=1S/C8H16FN/c1-4-6-8(9)7(3)10-5-2/h6-7,10H,4-5H2,1-3H3/b8-6+/t7-/m0/s1
InChIKeySZOYYORDGBPUST-DGUDBNDOSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

2,5-Dimethyl-3-pyrroline
CID 101066
(2R,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole
CID 7003739
2-methyl-2,5-dihydro-1H-pyrrole
CID 21492268
2-(fluoromethyl)-2,5-dihydro-1H-pyrrolehydrochloride
CID 155821458
(2S,5R)-2,5-dimethyl-2,5-dihydro-1H-pyrrole
CID 7003737
(E)-N,N-diethyl-3-fluoropent-3-en-2-amine
CID 89168015
3-Fluoro-6-methyl-1,2,3,6-tetrahydropyridine
CID 89642588
(Z,2S)-1-fluoro-N-methylpent-3-en-2-amine
CID 118438715
(Z,2S)-3-fluoro-N-methylpent-3-en-2-amine
CID 122674591
5-fluoro-N-methylhept-4-en-2-amine
CID 134365747
(Z)-1-fluoro-2-methyl-N-(2-methylpropyl)pent-2-en-1-amine
CID 134409229
6-Ethenyl-5-fluoro-1,2,3,6-tetrahydropyridine
CID 134424317

Frequently Asked Questions

What is the IUPAC name of (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine?
The IUPAC name of (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine (CID 139323857) is (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine.
What is the SMILES notation for (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine?
The canonical SMILES for (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine is CC/C=C(/F)[C@H](C)NCC.
What is the InChIKey of (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine?
The InChIKey is SZOYYORDGBPUST-DGUDBNDOSA-N. The full InChI is InChI=1S/C8H16FN/c1-4-6-8(9)7(3)10-5-2/h6-7,10H,4-5H2,1-3H3/b8-6+/t7-/m0/s1.
What are the key properties of (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine?
(E,2S)-N-ethyl-3-fluorohex-3-en-2-amine has a molecular weight of 145.22 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-N-ethyl-3-fluorohex-3-en-2-amine is sourced from PubChem (CID 139323857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).