(E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine

C8H17FN2 — CID 139576354

IUPAC(E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine
SMILESCN/C(CN)=C(/F)C(C)(C)C
InChIInChI=1S/C8H17FN2/c1-8(2,3)7(9)6(5-10)11-4/h11H,5,10H2,1-4H3/b7-6+
InChIKeyUQFVUOLYZIULHK-VOTSOKGWSA-N
MW160.24 g/mol
LogP1.39
Rot. Bonds2

About (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine

(E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine (PubChem CID 139576354) has the molecular formula C8H17FN2 and a molecular weight of 160.24 g/mol. Its IUPAC name is (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine.

Molecular Properties

Compound Name(E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine
PubChem CID139576354
Molecular FormulaC8H17FN2
Molecular Weight160.24 g/mol
Exact Mass160.14
IUPAC Name(E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine
SMILESCN/C(CN)=C(/F)C(C)(C)C
InChIInChI=1S/C8H17FN2/c1-8(2,3)7(9)6(5-10)11-4/h11H,5,10H2,1-4H3/b7-6+
InChIKeyUQFVUOLYZIULHK-VOTSOKGWSA-N
XLogP1.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-fluoro-2-N-methylpent-2-ene-1,2-diamine
CID 139576018
(E)-2-N-ethyl-3-fluoropent-2-ene-1,2-diamine
CID 156569840
(Z)-1-N,2-N-dimethylhex-2-ene-1,2,3-triamine
CID 139458625
ethane;(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine
CID 144521734
5,6-Ditert-butyl-1,2,3,4-tetrahydropyrazine
CID 167259966
2-N,3-N,4-N-trimethylpent-2-ene-2,3,4-triamine
CID 174298508
(E)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine
CID 174686285
(Z)-2-N,3-N,4-N-trimethylhex-3-ene-2,3,4-triamine
CID 174698660
(E)-1-N,2-N,3-trimethylpent-2-ene-1,2-diamine
CID 144521735

Frequently Asked Questions

What is the IUPAC name of (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine?
The IUPAC name of (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine (CID 139576354) is (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine.
What is the SMILES notation for (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine?
The canonical SMILES for (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine is CN/C(CN)=C(/F)C(C)(C)C.
What is the InChIKey of (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine?
The InChIKey is UQFVUOLYZIULHK-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H17FN2/c1-8(2,3)7(9)6(5-10)11-4/h11H,5,10H2,1-4H3/b7-6+.
What are the key properties of (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine?
(E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine has a molecular weight of 160.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-fluoro-2-N,4,4-trimethylpent-2-ene-1,2-diamine is sourced from PubChem (CID 139576354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).