N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine

C9H17F3N2 — CID 115514933

IUPACN-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine
SMILESCCN(CCCC(F)(F)F)C1CNC1
InChIInChI=1S/C9H17F3N2/c1-2-14(8-6-13-7-8)5-3-4-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyRHBRSAKFBXGFIN-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.62
Rot. Bonds5

About N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine

N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine (PubChem CID 115514933) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine.

Molecular Properties

Compound NameN-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine
PubChem CID115514933
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine
SMILESCCN(CCCC(F)(F)F)C1CNC1
InChIInChI=1S/C9H17F3N2/c1-2-14(8-6-13-7-8)5-3-4-9(10,11)12/h8,13H,2-7H2,1H3
InChIKeyRHBRSAKFBXGFIN-UHFFFAOYSA-N
XLogP1.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-N-(4,4,4-trifluorobutyl)piperidin-3-amine
CID 115514896
N-ethyl-N-(3-methylsulfanylpropyl)azetidin-3-amine
CID 66182079
N-(2-cyclopropylethyl)-N-ethylazetidin-3-amine
CID 66181540
N-ethyl-N-(3-methylbutyl)azetidin-3-amine
CID 66182506
N-(2-butoxyethyl)-N-ethylazetidin-3-amine
CID 66182391
N-ethyl-N-pent-3-ynylazetidin-3-amine
CID 104809046
N-ethyl-N-pentylpyrrolidin-3-amine
CID 63299512
N-ethyl-N-nonylpyrrolidin-3-amine
CID 63300432
3-[azetidin-3-yl(propyl)amino]propan-1-ol
CID 66215108
2-[azetidin-3-yl(butyl)amino]ethanol
CID 79467930
(1R,5S)-N-ethyl-N-(2,2,2-trifluoroethyl)-3-azabicyclo[3.1.0]hexan-6-amine
CID 137360448
N-ethyl-N-(2-phenylethyl)azetidin-3-amine
CID 66182276

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine?
The IUPAC name of N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine (CID 115514933) is N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine.
What is the SMILES notation for N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine?
The canonical SMILES for N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine is CCN(CCCC(F)(F)F)C1CNC1.
What is the InChIKey of N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine?
The InChIKey is RHBRSAKFBXGFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2/c1-2-14(8-6-13-7-8)5-3-4-9(10,11)12/h8,13H,2-7H2,1H3.
What are the key properties of N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine?
N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine has a molecular weight of 210.24 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4,4,4-trifluorobutyl)azetidin-3-amine is sourced from PubChem (CID 115514933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).