(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine

C9H16F3NO — CID 146615373

IUPAC(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
SMILESCCN[C@@H](C1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-13-8(9(10,11)12)7-3-5-14-6-4-7/h7-8,13H,2-6H2,1H3/t8-/m0/s1
InChIKeyJBYBDIDRMAWZDN-QMMMGPOBSA-N
MW211.23 g/mol
LogP1.95
Rot. Bonds3

About (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine

(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine (PubChem CID 146615373) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
PubChem CID146615373
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
SMILESCCN[C@@H](C1CCOCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-13-8(9(10,11)12)7-3-5-14-6-4-7/h7-8,13H,2-6H2,1H3/t8-/m0/s1
InChIKeyJBYBDIDRMAWZDN-QMMMGPOBSA-N
XLogP1.95
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl(1-(oxan-4-yl)ethyl)amine
CID 57526871
N-(oxan-4-ylmethyl)cyclopropanamine
CID 61269370
Tert-butyl[(oxan-4-yl)methyl]amine hydrochloride
CID 165942072
4-[(2,2,2-Trifluoroethoxy)methyl]piperidine
CID 24711278
Tert-butyl(oxan-4-ylmethyl)amine
CID 59743283
2,2,2-trifluoro-N-(oxan-4-ylmethyl)ethanamine
CID 61269934
4-(3,3,3-Trifluoropropoxymethyl)piperidine
CID 64567962
N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
N-ethyl-4-(trifluoromethyl)oxan-4-amine
CID 66204557
4-[[(2S)-2-fluoropropoxy]methyl]piperidine
CID 89688416
4-(Ethoxymethyl)-3-fluoropiperidine
CID 90165369
N-[(4-fluorooxan-4-yl)methyl]-2-methylpropan-2-amine
CID 134166296

Frequently Asked Questions

What is the IUPAC name of (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine?
The IUPAC name of (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine (CID 146615373) is (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine.
What is the SMILES notation for (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine?
The canonical SMILES for (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine is CCN[C@@H](C1CCOCC1)C(F)(F)F.
What is the InChIKey of (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine?
The InChIKey is JBYBDIDRMAWZDN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-13-8(9(10,11)12)7-3-5-14-6-4-7/h7-8,13H,2-6H2,1H3/t8-/m0/s1.
What are the key properties of (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine?
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine has a molecular weight of 211.23 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine is sourced from PubChem (CID 146615373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).