N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C12H17F4NO2 — CID 103475733

IUPACN-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)C(F)F)Cc1ccco1
InChIInChI=1S/C12H17F4NO2/c1-2-17-9(6-10-4-3-5-19-10)7-18-8-12(15,16)11(13)14/h3-5,9,11,17H,2,6-8H2,1H3
InChIKeyANNSUFQRCODUCH-UHFFFAOYSA-N
MW283.26 g/mol
LogP2.72
Rot. Bonds9

About N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475733) has the molecular formula C12H17F4NO2 and a molecular weight of 283.26 g/mol. Its IUPAC name is N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475733
Molecular FormulaC12H17F4NO2
Molecular Weight283.26 g/mol
Exact Mass283.12
IUPAC NameN-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCNC(COCC(F)(F)C(F)F)Cc1ccco1
InChIInChI=1S/C12H17F4NO2/c1-2-17-9(6-10-4-3-5-19-10)7-18-8-12(15,16)11(13)14/h3-5,9,11,17H,2,6-8H2,1H3
InChIKeyANNSUFQRCODUCH-UHFFFAOYSA-N
XLogP2.72
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(ethylamino)-3-(furan-2-yl)propyl] methanesulfonate
CID 163432769
N-ethyl-1-(2,2,3,3-tetrafluoropropoxy)hexan-2-amine
CID 103475741
1-tert-butylsulfanyl-N-ethyl-3-(furan-2-yl)propan-2-amine
CID 83174851
[1-ethoxy-3-(furan-2-yl)propan-2-yl]hydrazine
CID 105235330
1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475919
1-(furan-2-yl)-N-methyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148345
5,5,5-trifluoro-1-(furan-2-yl)-N-propylpentan-2-amine
CID 83183463
1-[4-(difluoromethoxy)phenyl]-N-ethyl-2-(furan-2-yl)ethanamine
CID 105029421
4,4,4-trifluoro-1-(furan-2-yl)-N-methylbutan-2-amine
CID 83175606
3-[1-(ethylamino)-2-(2,2,3,3-tetrafluoropropoxy)ethyl]pyridin-4-amine
CID 103475792
N-ethyl-2-(furan-2-yl)-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 105029616
1-(2,3-dimethylphenyl)-N-ethyl-2-(2,2,3,3-tetrafluoropropoxy)ethanamine
CID 103475704

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475733) is N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CCNC(COCC(F)(F)C(F)F)Cc1ccco1.
What is the InChIKey of N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is ANNSUFQRCODUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F4NO2/c1-2-17-9(6-10-4-3-5-19-10)7-18-8-12(15,16)11(13)14/h3-5,9,11,17H,2,6-8H2,1H3.
What are the key properties of N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 283.26 g/mol, XLogP of 2.72, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(furan-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).