N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine

C10H18F3NO — CID 106401571

IUPACN-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine
SMILESC=CCCOCCNCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-3-8-15-9-7-14-6-4-5-10(11,12)13/h2,14H,1,3-9H2
InChIKeyMXIYCJYMSGYYFE-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.51
Rot. Bonds9

About N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine

N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 106401571) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine
PubChem CID106401571
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine
SMILESC=CCCOCCNCCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-3-8-15-9-7-14-6-4-5-10(11,12)13/h2,14H,1,3-9H2
InChIKeyMXIYCJYMSGYYFE-UHFFFAOYSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
N-(2-but-3-enoxyethyl)-2,2,2-trifluoroethanamine
CID 62599212
N-[2-(2,2,2-trifluoroethoxy)ethyl]but-3-en-1-amine
CID 64314222
N-[2-(2,2,2-trifluoroethoxy)ethyl]pent-4-en-1-amine
CID 64314223
2-methylidene-N-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 66045709
2-pent-4-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 79113167
2,2,2-trifluoro-N-(2-pent-4-enoxyethyl)ethanamine
CID 79114123
N-[2-(4,4,4-trifluorobutoxy)ethyl]prop-2-en-1-amine
CID 82791521
N-[2-(3,3,3-trifluoropropoxy)ethyl]prop-2-en-1-amine
CID 82957687
N-[2-(2,2-difluoroethoxy)ethyl]hex-5-en-2-amine
CID 103082750
N-ethyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214750
N-propyl-1-(2,2,2-trifluoroethoxy)pent-4-en-2-amine
CID 103214756

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine (CID 106401571) is N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine is C=CCCOCCNCCCC(F)(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is MXIYCJYMSGYYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-3-8-15-9-7-14-6-4-5-10(11,12)13/h2,14H,1,3-9H2.
What are the key properties of N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine?
N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 106401571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).