fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine

C9H11F8NO — CID 145335487

IUPACfluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine
SMILESCF.FC(F)=CC(F)(F)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C8H8F7NO.CH3F/c9-6(10)3-7(11,12)16-1-2-17-5(4-16)8(13,14)15;1-2/h3,5H,1-2,4H2;1H3
InChIKeyQLRSZVDALCWKAU-UHFFFAOYSA-N
MW301.18 g/mol
LogP3.21
Rot. Bonds2

About fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine

fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine (PubChem CID 145335487) has the molecular formula C9H11F8NO and a molecular weight of 301.18 g/mol. Its IUPAC name is fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine.

Molecular Properties

Compound Namefluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine
PubChem CID145335487
Molecular FormulaC9H11F8NO
Molecular Weight301.18 g/mol
Exact Mass301.07
IUPAC Namefluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine
SMILESCF.FC(F)=CC(F)(F)N1CCOC(C(F)(F)F)C1
InChIInChI=1S/C8H8F7NO.CH3F/c9-6(10)3-7(11,12)16-1-2-17-5(4-16)8(13,14)15;1-2/h3,5H,1-2,4H2;1H3
InChIKeyQLRSZVDALCWKAU-UHFFFAOYSA-N
XLogP3.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine?
The IUPAC name of fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine (CID 145335487) is fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine.
What is the SMILES notation for fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine?
The canonical SMILES for fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine is CF.FC(F)=CC(F)(F)N1CCOC(C(F)(F)F)C1.
What is the InChIKey of fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine?
The InChIKey is QLRSZVDALCWKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7NO.CH3F/c9-6(10)3-7(11,12)16-1-2-17-5(4-16)8(13,14)15;1-2/h3,5H,1-2,4H2;1H3.
What are the key properties of fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine?
fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine has a molecular weight of 301.18 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;4-(1,1,3,3-tetrafluoroprop-2-enyl)-2-(trifluoromethyl)morpholine is sourced from PubChem (CID 145335487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).