2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine

C9H15F2NO — CID 130693715

IUPAC2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine
SMILESC=C(C)CN1CCOC(C(F)F)C1
InChIInChI=1S/C9H15F2NO/c1-7(2)5-12-3-4-13-8(6-12)9(10)11/h8-9H,1,3-6H2,2H3
InChIKeyXSZJBOCNXVHACQ-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.53
Rot. Bonds3

About 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine

2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine (PubChem CID 130693715) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine
PubChem CID130693715
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine
SMILESC=C(C)CN1CCOC(C(F)F)C1
InChIInChI=1S/C9H15F2NO/c1-7(2)5-12-3-4-13-8(6-12)9(10)11/h8-9H,1,3-6H2,2H3
InChIKeyXSZJBOCNXVHACQ-UHFFFAOYSA-N
XLogP1.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 131110765
3-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
CID 79185967
4-(2-bromoprop-2-enyl)-2-propan-2-yl-1,4-oxazepane
CID 130636933
(1S)-1-[(2R)-4-ethylmorpholin-2-yl]ethane-1,2-diol
CID 177187353
4-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-2-(difluoromethyl)morpholine
CID 126810423
N-methyl-1-(2-methylprop-2-enyl)pyrrolidin-3-amine
CID 115300548
N-ethyl-3-methyl-1-(4-methylmorpholin-2-yl)but-3-en-1-amine
CID 79186078
[3-methyl-1-(4-propan-2-ylmorpholin-2-yl)but-3-enyl]hydrazine
CID 105248190
1-(4-ethylmorpholin-2-yl)-2-methylbutan-1-ol
CID 79666860
1-[2-(difluoromethyl)morpholin-4-yl]prop-2-en-1-one
CID 136572489
2-propan-2-yl-4-propylmorpholine
CID 58468712
1-(4-ethylmorpholin-2-yl)-2-methylpentan-1-ol
CID 107892986

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine?
The IUPAC name of 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine (CID 130693715) is 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine.
What is the SMILES notation for 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine?
The canonical SMILES for 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine is C=C(C)CN1CCOC(C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine?
The InChIKey is XSZJBOCNXVHACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(2)5-12-3-4-13-8(6-12)9(10)11/h8-9H,1,3-6H2,2H3.
What are the key properties of 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine?
2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine has a molecular weight of 191.22 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(2-methylprop-2-enyl)morpholine is sourced from PubChem (CID 130693715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).