N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine

C10H20FN — CID 170249868

IUPACN-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine
SMILESC=CC(CN(C)C(C)F)C(C)C
InChIInChI=1S/C10H20FN/c1-6-10(8(2)3)7-12(5)9(4)11/h6,8-10H,1,7H2,2-5H3
InChIKeyMCHNHIPUALHCBC-UHFFFAOYSA-N
MW173.28 g/mol
LogP2.69
Rot. Bonds5

About N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine

N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine (PubChem CID 170249868) has the molecular formula C10H20FN and a molecular weight of 173.28 g/mol. Its IUPAC name is N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine.

Molecular Properties

Compound NameN-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine
PubChem CID170249868
Molecular FormulaC10H20FN
Molecular Weight173.28 g/mol
Exact Mass173.16
IUPAC NameN-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine
SMILESC=CC(CN(C)C(C)F)C(C)C
InChIInChI=1S/C10H20FN/c1-6-10(8(2)3)7-12(5)9(4)11/h6,8-10H,1,7H2,2-5H3
InChIKeyMCHNHIPUALHCBC-UHFFFAOYSA-N
XLogP2.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.28
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine?
The IUPAC name of N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine (CID 170249868) is N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine.
What is the SMILES notation for N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine?
The canonical SMILES for N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine is C=CC(CN(C)C(C)F)C(C)C.
What is the InChIKey of N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine?
The InChIKey is MCHNHIPUALHCBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20FN/c1-6-10(8(2)3)7-12(5)9(4)11/h6,8-10H,1,7H2,2-5H3.
What are the key properties of N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine?
N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine has a molecular weight of 173.28 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroethyl)-N-methyl-2-propan-2-ylbut-3-en-1-amine is sourced from PubChem (CID 170249868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).