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

C11H17F6NO — CID 103312042

IUPAC1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
SMILESCNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO/c1-18-8(5-4-7-3-2-6-19-7)9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyHERJUUULOZNTNC-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.27
Rot. Bonds5

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

1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine (PubChem CID 103312042) has the molecular formula C11H17F6NO and a molecular weight of 293.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
PubChem CID103312042
Molecular FormulaC11H17F6NO
Molecular Weight293.25 g/mol
Exact Mass293.12
IUPAC Name1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
SMILESCNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H17F6NO/c1-18-8(5-4-7-3-2-6-19-7)9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3
InChIKeyHERJUUULOZNTNC-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.27
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-methyl-1-(4-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55093564
N-methyl-1-(3-methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094199
1-cyclohexyl-N-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095357
N,7-dimethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 55095372
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749685
4,4,4-trifluoro-N-methyl-1-(oxolan-2-yl)butan-2-amine
CID 62603324
1-cyclopropyl-N-methyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64495877
N-ethyl-2-methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64496915
2-methyl-N-propyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64498171
N,2-dimethyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64499080
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine (CID 103312042) is 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine is CNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
The InChIKey is HERJUUULOZNTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F6NO/c1-18-8(5-4-7-3-2-6-19-7)9(10(12,13)14)11(15,16)17/h7-9,18H,2-6H2,1H3.
What are the key properties of 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine has a molecular weight of 293.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine is sourced from PubChem (CID 103312042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).