4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine

C12H20F2N2O — CID 71040532

IUPAC4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine
SMILESC[C@@H]1CN(C2=C(F)CC(N)CC2F)C[C@H](C)O1
InChIInChI=1S/C12H20F2N2O/c1-7-5-16(6-8(2)17-7)12-10(13)3-9(15)4-11(12)14/h7-10H,3-6,15H2,1-2H3/t7-,8+,9?,10?
InChIKeyDWABIAPCSZPBGZ-BQKDNTBBSA-N
MW246.30 g/mol
LogP1.74
Rot. Bonds1

About 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine (PubChem CID 71040532) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine
PubChem CID71040532
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine
SMILESC[C@@H]1CN(C2=C(F)CC(N)CC2F)C[C@H](C)O1
InChIInChI=1S/C12H20F2N2O/c1-7-5-16(6-8(2)17-7)12-10(13)3-9(15)4-11(12)14/h7-10H,3-6,15H2,1-2H3/t7-,8+,9?,10?
InChIKeyDWABIAPCSZPBGZ-BQKDNTBBSA-N
XLogP1.74
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine?
The IUPAC name of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine (CID 71040532) is 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine.
What is the SMILES notation for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine?
The canonical SMILES for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine is C[C@@H]1CN(C2=C(F)CC(N)CC2F)C[C@H](C)O1.
What is the InChIKey of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine?
The InChIKey is DWABIAPCSZPBGZ-BQKDNTBBSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-7-5-16(6-8(2)17-7)12-10(13)3-9(15)4-11(12)14/h7-10H,3-6,15H2,1-2H3/t7-,8+,9?,10?.
What are the key properties of 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine?
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine has a molecular weight of 246.30 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3,5-difluorocyclohex-3-en-1-amine is sourced from PubChem (CID 71040532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).