N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine

C8H13F6N — CID 103311641

IUPACN-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine
SMILESCCNC(CC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N/c1-3-5(15-4-2)6(7(9,10)11)8(12,13)14/h5-6,15H,3-4H2,1-2H3
InChIKeyOVFVGMKKJAPZGA-UHFFFAOYSA-N
MW237.19 g/mol
LogP3.12
Rot. Bonds4

About N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine

N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine (PubChem CID 103311641) has the molecular formula C8H13F6N and a molecular weight of 237.19 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine
PubChem CID103311641
Molecular FormulaC8H13F6N
Molecular Weight237.19 g/mol
Exact Mass237.10
IUPAC NameN-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine
SMILESCCNC(CC)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N/c1-3-5(15-4-2)6(7(9,10)11)8(12,13)14/h5-6,15H,3-4H2,1-2H3
InChIKeyOVFVGMKKJAPZGA-UHFFFAOYSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine (CID 103311641) is N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine is CCNC(CC)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine?
The InChIKey is OVFVGMKKJAPZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6N/c1-3-5(15-4-2)6(7(9,10)11)8(12,13)14/h5-6,15H,3-4H2,1-2H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine?
N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine has a molecular weight of 237.19 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-2-(trifluoromethyl)pentan-3-amine is sourced from PubChem (CID 103311641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).