N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine

C10H20FNO — CID 139410249

IUPACN-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine
SMILESC/C=C(/F)C(C)OCCNC(C)C
InChIInChI=1S/C10H20FNO/c1-5-10(11)9(4)13-7-6-12-8(2)3/h5,8-9,12H,6-7H2,1-4H3/b10-5+
InChIKeyRWGKVBCVKQPYBY-BJMVGYQFSA-N
MW189.27 g/mol
LogP2.26
Rot. Bonds6

About N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine

N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine (PubChem CID 139410249) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine.

Molecular Properties

Compound NameN-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine
PubChem CID139410249
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC NameN-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine
SMILESC/C=C(/F)C(C)OCCNC(C)C
InChIInChI=1S/C10H20FNO/c1-5-10(11)9(4)13-7-6-12-8(2)3/h5,8-9,12H,6-7H2,1-4H3/b10-5+
InChIKeyRWGKVBCVKQPYBY-BJMVGYQFSA-N
XLogP2.26
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine?
The IUPAC name of N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine (CID 139410249) is N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine.
What is the SMILES notation for N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine?
The canonical SMILES for N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine is C/C=C(/F)C(C)OCCNC(C)C.
What is the InChIKey of N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine?
The InChIKey is RWGKVBCVKQPYBY-BJMVGYQFSA-N. The full InChI is InChI=1S/C10H20FNO/c1-5-10(11)9(4)13-7-6-12-8(2)3/h5,8-9,12H,6-7H2,1-4H3/b10-5+.
What are the key properties of N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine?
N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine has a molecular weight of 189.27 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(E)-3-fluoropent-3-en-2-yl]oxyethyl]propan-2-amine is sourced from PubChem (CID 139410249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).