(E,2S)-3-fluorohept-3-en-2-amine

C7H14FN — CID 89217750

IUPAC(E,2S)-3-fluorohept-3-en-2-amine
SMILESCCC/C=C(/F)[C@H](C)N
InChIInChI=1S/C7H14FN/c1-3-4-5-7(8)6(2)9/h5-6H,3-4,9H2,1-2H3/b7-5+/t6-/m0/s1
InChIKeyFYPCOEHFEGHIHD-YXXZKMSWSA-N
MW131.19 g/mol
LogP1.99
Rot. Bonds3

About (E,2S)-3-fluorohept-3-en-2-amine

(E,2S)-3-fluorohept-3-en-2-amine (PubChem CID 89217750) has the molecular formula C7H14FN and a molecular weight of 131.19 g/mol. Its IUPAC name is (E,2S)-3-fluorohept-3-en-2-amine.

Molecular Properties

Compound Name(E,2S)-3-fluorohept-3-en-2-amine
PubChem CID89217750
Molecular FormulaC7H14FN
Molecular Weight131.19 g/mol
Exact Mass131.11
IUPAC Name(E,2S)-3-fluorohept-3-en-2-amine
SMILESCCC/C=C(/F)[C@H](C)N
InChIInChI=1S/C7H14FN/c1-3-4-5-7(8)6(2)9/h5-6H,3-4,9H2,1-2H3/b7-5+/t6-/m0/s1
InChIKeyFYPCOEHFEGHIHD-YXXZKMSWSA-N
XLogP1.99
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.19
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,2S)-3-fluorohept-3-en-2-amine?
The IUPAC name of (E,2S)-3-fluorohept-3-en-2-amine (CID 89217750) is (E,2S)-3-fluorohept-3-en-2-amine.
What is the SMILES notation for (E,2S)-3-fluorohept-3-en-2-amine?
The canonical SMILES for (E,2S)-3-fluorohept-3-en-2-amine is CCC/C=C(/F)[C@H](C)N.
What is the InChIKey of (E,2S)-3-fluorohept-3-en-2-amine?
The InChIKey is FYPCOEHFEGHIHD-YXXZKMSWSA-N. The full InChI is InChI=1S/C7H14FN/c1-3-4-5-7(8)6(2)9/h5-6H,3-4,9H2,1-2H3/b7-5+/t6-/m0/s1.
What are the key properties of (E,2S)-3-fluorohept-3-en-2-amine?
(E,2S)-3-fluorohept-3-en-2-amine has a molecular weight of 131.19 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-3-fluorohept-3-en-2-amine is sourced from PubChem (CID 89217750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).