1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine

C8H16F2N2OS — CID 166799719

IUPAC1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine
SMILESCSNCC1CN(CC(F)F)CCO1
InChIInChI=1S/C8H16F2N2OS/c1-14-11-4-7-5-12(2-3-13-7)6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyAPVNAQRRXLMFIW-UHFFFAOYSA-N
MW226.29 g/mol
LogP0.82
Rot. Bonds5

About 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine

1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine (PubChem CID 166799719) has the molecular formula C8H16F2N2OS and a molecular weight of 226.29 g/mol. Its IUPAC name is 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine.

Molecular Properties

Compound Name1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine
PubChem CID166799719
Molecular FormulaC8H16F2N2OS
Molecular Weight226.29 g/mol
Exact Mass226.10
IUPAC Name1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine
SMILESCSNCC1CN(CC(F)F)CCO1
InChIInChI=1S/C8H16F2N2OS/c1-14-11-4-7-5-12(2-3-13-7)6-8(9)10/h7-8,11H,2-6H2,1H3
InChIKeyAPVNAQRRXLMFIW-UHFFFAOYSA-N
XLogP0.82
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2,2-difluoroethyl)morpholine-2-carbonitrile
CID 78958703
2-cyclopropyl-4-(2,2-difluoroethyl)morpholine
CID 130626261
N-[(4-ethylmorpholin-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 79165763
3-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-2,2-dimethylpropan-1-amine
CID 115363535
N-[(4-ethylmorpholin-2-yl)methyl]-1-ethylsulfonylpropan-2-amine
CID 115919948
N-[(4-ethylmorpholin-2-yl)methyl]-4,4,4-trifluorobutan-2-amine
CID 103931823
2-[(4-ethylmorpholin-2-yl)methyl]-1,1-dimethylhydrazine
CID 83013622
N'-methyl-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]pyrrolidine-1-carboximidamide
CID 95571142
2-(difluoromethylsulfanyl)-N-[(4-ethylmorpholin-2-yl)methyl]aniline
CID 79164197
N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]cyclopropanecarboxamide
CID 95168375
2-chloro-N-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-5-methylsulfanylbenzamide
CID 39483842
(1S)-N-[(4-ethylmorpholin-2-yl)methyl]-1-(4-fluorophenyl)ethanamine
CID 81347515

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine?
The IUPAC name of 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine (CID 166799719) is 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine.
What is the SMILES notation for 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine?
The canonical SMILES for 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine is CSNCC1CN(CC(F)F)CCO1.
What is the InChIKey of 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine?
The InChIKey is APVNAQRRXLMFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2OS/c1-14-11-4-7-5-12(2-3-13-7)6-8(9)10/h7-8,11H,2-6H2,1H3.
What are the key properties of 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine?
1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine has a molecular weight of 226.29 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,2-difluoroethyl)morpholin-2-yl]-N-methylsulfanylmethanamine is sourced from PubChem (CID 166799719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).