(E)-N,N-diethyl-3-fluoropent-3-en-2-amine

C9H18FN — CID 89168015

IUPAC(E)-N,N-diethyl-3-fluoropent-3-en-2-amine
SMILESC/C=C(/F)C(C)N(CC)CC
InChIInChI=1S/C9H18FN/c1-5-9(10)8(4)11(6-2)7-3/h5,8H,6-7H2,1-4H3/b9-5+
InChIKeyDVNPJUSROYBJAP-WEVVVXLNSA-N
MW159.25 g/mol
LogP2.59
Rot. Bonds4

About (E)-N,N-diethyl-3-fluoropent-3-en-2-amine

(E)-N,N-diethyl-3-fluoropent-3-en-2-amine (PubChem CID 89168015) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (E)-N,N-diethyl-3-fluoropent-3-en-2-amine.

Molecular Properties

Compound Name(E)-N,N-diethyl-3-fluoropent-3-en-2-amine
PubChem CID89168015
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(E)-N,N-diethyl-3-fluoropent-3-en-2-amine
SMILESC/C=C(/F)C(C)N(CC)CC
InChIInChI=1S/C9H18FN/c1-5-9(10)8(4)11(6-2)7-3/h5,8H,6-7H2,1-4H3/b9-5+
InChIKeyDVNPJUSROYBJAP-WEVVVXLNSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,N-diethyl-3-fluoropent-3-en-2-amine?
The IUPAC name of (E)-N,N-diethyl-3-fluoropent-3-en-2-amine (CID 89168015) is (E)-N,N-diethyl-3-fluoropent-3-en-2-amine.
What is the SMILES notation for (E)-N,N-diethyl-3-fluoropent-3-en-2-amine?
The canonical SMILES for (E)-N,N-diethyl-3-fluoropent-3-en-2-amine is C/C=C(/F)C(C)N(CC)CC.
What is the InChIKey of (E)-N,N-diethyl-3-fluoropent-3-en-2-amine?
The InChIKey is DVNPJUSROYBJAP-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H18FN/c1-5-9(10)8(4)11(6-2)7-3/h5,8H,6-7H2,1-4H3/b9-5+.
What are the key properties of (E)-N,N-diethyl-3-fluoropent-3-en-2-amine?
(E)-N,N-diethyl-3-fluoropent-3-en-2-amine has a molecular weight of 159.25 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,N-diethyl-3-fluoropent-3-en-2-amine is sourced from PubChem (CID 89168015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).