1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine

C13H21F6NO — CID 103312043

IUPAC1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine
SMILESCCCNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F6NO/c1-2-7-20-10(6-5-9-4-3-8-21-9)11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3
InChIKeyMYYJDIZSKDALNO-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.05
Rot. Bonds7

About 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine

1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine (PubChem CID 103312043) has the molecular formula C13H21F6NO and a molecular weight of 321.31 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine
PubChem CID103312043
Molecular FormulaC13H21F6NO
Molecular Weight321.31 g/mol
Exact Mass321.15
IUPAC Name1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine
SMILESCCCNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C13H21F6NO/c1-2-7-20-10(6-5-9-4-3-8-21-9)11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3
InChIKeyMYYJDIZSKDALNO-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S,4S,5R)-4-fluoro-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612956
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-ethyl-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095373
6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 55095421
N-ethyl-1-(oxolan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 55095738
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748692
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749886
4,4,4-trifluoro-1-(oxolan-2-yl)-N-propylbutan-2-amine
CID 62604639
N-ethyl-4,4,4-trifluoro-1-(oxolan-2-yl)butan-2-amine
CID 62605357
2-propan-2-yl-N-(3,3,3-trifluoropropyl)oxan-4-amine
CID 64102696
2-propan-2-yl-N-(2,2,2-trifluoroethyl)oxan-4-amine
CID 64106491
N-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64496915

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine (CID 103312043) is 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine is CCCNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine?
The InChIKey is MYYJDIZSKDALNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F6NO/c1-2-7-20-10(6-5-9-4-3-8-21-9)11(12(14,15)16)13(17,18)19/h9-11,20H,2-8H2,1H3.
What are the key properties of 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine?
1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine has a molecular weight of 321.31 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-(oxolan-2-yl)-N-propyl-2-(trifluoromethyl)pentan-3-amine is sourced from PubChem (CID 103312043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).