N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine

C9H14F3N5O — CID 55262236

IUPACN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCn1nnnc1CNC1CC1
InChIInChI=1S/C9H14F3N5O/c10-9(11,12)6-18-4-3-17-8(14-15-16-17)5-13-7-1-2-7/h7,13H,1-6H2
InChIKeyPYYNCHWYCMIALH-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.50
Rot. Bonds7

About N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine

N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine (PubChem CID 55262236) has the molecular formula C9H14F3N5O and a molecular weight of 265.24 g/mol. Its IUPAC name is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine
PubChem CID55262236
Molecular FormulaC9H14F3N5O
Molecular Weight265.24 g/mol
Exact Mass265.12
IUPAC NameN-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine
SMILESFC(F)(F)COCCn1nnnc1CNC1CC1
InChIInChI=1S/C9H14F3N5O/c10-9(11,12)6-18-4-3-17-8(14-15-16-17)5-13-7-1-2-7/h7,13H,1-6H2
InChIKeyPYYNCHWYCMIALH-UHFFFAOYSA-N
XLogP0.50
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]ethanamine
CID 62736318
N-[[1-(2,2,2-trifluoroethyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 62736510
2-methoxy-N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]ethanamine
CID 63227841
N-[[1-(3,3,3-trifluoropropyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 63228078
2-methoxy-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 63827602
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine
CID 63827603
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine
CID 63827779
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]ethanamine
CID 63827780
2-methyl-N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 63827946
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-2-amine
CID 63827947
[1-[2-(2,2,2-Trifluoroethoxy)ethyl]tetrazol-5-yl]methanamine
CID 63827948
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 63828126

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine (CID 55262236) is N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine is FC(F)(F)COCCn1nnnc1CNC1CC1.
What is the InChIKey of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine?
The InChIKey is PYYNCHWYCMIALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N5O/c10-9(11,12)6-18-4-3-17-8(14-15-16-17)5-13-7-1-2-7/h7,13H,1-6H2.
What are the key properties of N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine?
N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine has a molecular weight of 265.24 g/mol, XLogP of 0.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2,2,2-trifluoroethoxy)ethyl]tetrazol-5-yl]methyl]cyclopropanamine is sourced from PubChem (CID 55262236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).