N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine

C12H22F3NO — CID 104925240

IUPACN-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine
SMILESC=CCCOCCNC(C)CCCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-4-9-17-10-8-16-11(2)6-5-7-12(13,14)15/h3,11,16H,1,4-10H2,2H3
InChIKeyHYBVWHDZDRQCCC-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.29
Rot. Bonds10

About N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine

N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine (PubChem CID 104925240) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine
PubChem CID104925240
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine
SMILESC=CCCOCCNC(C)CCCC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-3-4-9-17-10-8-16-11(2)6-5-7-12(13,14)15/h3,11,16H,1,4-10H2,2H3
InChIKeyHYBVWHDZDRQCCC-UHFFFAOYSA-N
XLogP3.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.29
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-(2,2,2-trifluoroethoxy)ethyl]pent-4-en-1-amine
CID 64314223
N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohex-3-en-1-amine
CID 65703143
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
N-ethyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
CID 103215432
N-methyl-1-(2,2,2-trifluoroethoxy)hept-6-en-2-amine
CID 103215437
N-ethyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103215439
N-methyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103215444
N-propyl-1-(2,2,2-trifluoroethoxy)hex-5-en-2-amine
CID 103215446
N-ethyl-1-(2,2,2-trifluoroethoxy)but-3-en-2-amine
CID 103215661

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine?
The IUPAC name of N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine (CID 104925240) is N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine?
The canonical SMILES for N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine is C=CCCOCCNC(C)CCCC(F)(F)F.
What is the InChIKey of N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine?
The InChIKey is HYBVWHDZDRQCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-3-4-9-17-10-8-16-11(2)6-5-7-12(13,14)15/h3,11,16H,1,4-10H2,2H3.
What are the key properties of N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine?
N-(2-but-3-enoxyethyl)-6,6,6-trifluorohexan-2-amine has a molecular weight of 253.31 g/mol, XLogP of 3.29, 10 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)-6,6,6-trifluorohexan-2-amine is sourced from PubChem (CID 104925240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).