N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine

C9H14F3NO — CID 102653290

IUPACN-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-2-5-13-8(9(10,11)12)7-4-3-6-14-7/h4,8,13H,2-3,5-6H2,1H3
InChIKeyNLMIIJOKRHRXHN-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.22
Rot. Bonds4

About N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine

N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine (PubChem CID 102653290) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine
PubChem CID102653290
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC NameN-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine
SMILESCCCNC(C1=CCCO1)C(F)(F)F
InChIInChI=1S/C9H14F3NO/c1-2-5-13-8(9(10,11)12)7-4-3-6-14-7/h4,8,13H,2-3,5-6H2,1H3
InChIKeyNLMIIJOKRHRXHN-UHFFFAOYSA-N
XLogP2.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The IUPAC name of N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine (CID 102653290) is N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine.
What is the SMILES notation for N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The canonical SMILES for N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine is CCCNC(C1=CCCO1)C(F)(F)F.
What is the InChIKey of N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine?
The InChIKey is NLMIIJOKRHRXHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c1-2-5-13-8(9(10,11)12)7-4-3-6-14-7/h4,8,13H,2-3,5-6H2,1H3.
What are the key properties of N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine?
N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine has a molecular weight of 209.21 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydrofuran-5-yl)-2,2,2-trifluoroethyl]propan-1-amine is sourced from PubChem (CID 102653290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).