N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine

C12H22F3NO — CID 65164289

IUPACN-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
SMILESCCNC(CCCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-16-10(9-12(13,14)15)5-3-6-11-7-4-8-17-11/h10-11,16H,2-9H2,1H3
InChIKeyFVVHLPJMFPJVFW-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds7

About N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine

N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine (PubChem CID 65164289) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
PubChem CID65164289
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
SMILESCCNC(CCCC1CCCO1)CC(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-16-10(9-12(13,14)15)5-3-6-11-7-4-8-17-11/h10-11,16H,2-9H2,1H3
InChIKeyFVVHLPJMFPJVFW-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1-methoxy-5-(oxolan-2-yl)pentan-2-amine
CID 65161819
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
N-ethyl-1-(4-fluorophenyl)-5-(oxolan-2-yl)pentan-2-amine
CID 65167136
N-ethyl-4-(oxolan-2-yl)-1-(2,2,3,3-tetrafluoropropoxy)butan-2-amine
CID 103475709
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
CID 103312044
N-ethyl-6-ethylsulfonyl-1-(oxolan-2-yl)hexan-3-amine
CID 115865230
N-ethyl-5-(oxolan-2-yl)-1-phenoxypentan-2-amine
CID 65164198
1-(2,5-dimethylphenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 104993079
N-ethyl-1-(oxolan-2-yl)decan-2-amine
CID 62600159
1-(2-chloro-4-fluorophenyl)-N-ethyl-5-(oxolan-2-yl)pentan-2-amine
CID 65164657

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine (CID 65164289) is N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine is CCNC(CCCC1CCCO1)CC(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine?
The InChIKey is FVVHLPJMFPJVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-16-10(9-12(13,14)15)5-3-6-11-7-4-8-17-11/h10-11,16H,2-9H2,1H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine?
N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine is sourced from PubChem (CID 65164289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).