(2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine

C10H17F2NO — CID 90065047

IUPAC(2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine
SMILESFC(F)C[C@H]1CO[C@@H](CC2CC2)CN1
InChIInChI=1S/C10H17F2NO/c11-10(12)4-8-6-14-9(5-13-8)3-7-1-2-7/h7-10,13H,1-6H2/t8-,9-/m0/s1
InChIKeyRQNXCUFLBPAXCQ-IUCAKERBSA-N
MW205.25 g/mol
LogP1.80
Rot. Bonds4

About (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine

(2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine (PubChem CID 90065047) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine.

Molecular Properties

Compound Name(2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine
PubChem CID90065047
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name(2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine
SMILESFC(F)C[C@H]1CO[C@@H](CC2CC2)CN1
InChIInChI=1S/C10H17F2NO/c11-10(12)4-8-6-14-9(5-13-8)3-7-1-2-7/h7-10,13H,1-6H2/t8-,9-/m0/s1
InChIKeyRQNXCUFLBPAXCQ-IUCAKERBSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine?
The IUPAC name of (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine (CID 90065047) is (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine.
What is the SMILES notation for (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine?
The canonical SMILES for (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine is FC(F)C[C@H]1CO[C@@H](CC2CC2)CN1.
What is the InChIKey of (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine?
The InChIKey is RQNXCUFLBPAXCQ-IUCAKERBSA-N. The full InChI is InChI=1S/C10H17F2NO/c11-10(12)4-8-6-14-9(5-13-8)3-7-1-2-7/h7-10,13H,1-6H2/t8-,9-/m0/s1.
What are the key properties of (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine?
(2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine has a molecular weight of 205.25 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-(cyclopropylmethyl)-5-(2,2-difluoroethyl)morpholine is sourced from PubChem (CID 90065047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).