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

C12H19F6NO — CID 103312044

IUPACN-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
SMILESCCNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6NO/c1-2-19-9(6-5-8-4-3-7-20-8)10(11(13,14)15)12(16,17)18/h8-10,19H,2-7H2,1H3
InChIKeySRXDTZVIQFOEMP-UHFFFAOYSA-N
MW307.28 g/mol
LogP3.66
Rot. Bonds6

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

N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine (PubChem CID 103312044) has the molecular formula C12H19F6NO and a molecular weight of 307.28 g/mol. Its IUPAC name is N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
PubChem CID103312044
Molecular FormulaC12H19F6NO
Molecular Weight307.28 g/mol
Exact Mass307.14
IUPAC NameN-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine
SMILESCCNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H19F6NO/c1-2-19-9(6-5-8-4-3-7-20-8)10(11(13,14)15)12(16,17)18/h8-10,19H,2-7H2,1H3
InChIKeySRXDTZVIQFOEMP-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-1,1,1-trifluoro-6-(oxolan-2-yl)hexan-3-amine
CID 65164289
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-(oxolan-2-yl)heptan-3-amine
CID 79404378
4-ethoxy-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
CID 116726844
N,4-dimethyl-1-(oxolan-2-yl)pentan-3-amine
CID 62549646
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1,1,1-trifluoro-N-methyl-5-(oxolan-2-yl)pentan-3-amine
CID 65164288
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550
4-(azepan-1-yl)-N-ethyl-4-methyl-1-(oxolan-2-yl)pentan-3-amine
CID 79050801
1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708
N-ethyl-1-(2-methylpropylsulfanyl)-4-(oxolan-2-yl)butan-2-amine
CID 65164626

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
The IUPAC name of N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine (CID 103312044) is N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine.
What is the SMILES notation for N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
The canonical SMILES for N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine is CCNC(CCC1CCCO1)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
The InChIKey is SRXDTZVIQFOEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F6NO/c1-2-19-9(6-5-8-4-3-7-20-8)10(11(13,14)15)12(16,17)18/h8-10,19H,2-7H2,1H3.
What are the key properties of N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine?
N-ethyl-1,1,1-trifluoro-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine has a molecular weight of 307.28 g/mol, XLogP of 3.66, 6 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-5-(oxolan-2-yl)-2-(trifluoromethyl)pentan-3-amine is sourced from PubChem (CID 103312044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).