3,5-difluoro-2-morpholin-4-ylaniline

C10H12F2N2O — CID 81312473

IUPAC3,5-difluoro-2-morpholin-4-ylaniline
SMILESNc1cc(F)cc(F)c1N1CCOCC1
InChIInChI=1S/C10H12F2N2O/c11-7-5-8(12)10(9(13)6-7)14-1-3-15-4-2-14/h5-6H,1-4,13H2
InChIKeyVMRVZWDNYHGWNJ-UHFFFAOYSA-N
MW214.22 g/mol
LogP1.38
Rot. Bonds1

About 3,5-difluoro-2-morpholin-4-ylaniline

3,5-difluoro-2-morpholin-4-ylaniline (PubChem CID 81312473) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 3,5-difluoro-2-morpholin-4-ylaniline.

Molecular Properties

Compound Name3,5-difluoro-2-morpholin-4-ylaniline
PubChem CID81312473
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name3,5-difluoro-2-morpholin-4-ylaniline
SMILESNc1cc(F)cc(F)c1N1CCOCC1
InChIInChI=1S/C10H12F2N2O/c11-7-5-8(12)10(9(13)6-7)14-1-3-15-4-2-14/h5-6H,1-4,13H2
InChIKeyVMRVZWDNYHGWNJ-UHFFFAOYSA-N
XLogP1.38
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-bromo-4,6-difluorophenyl)morpholine
CID 84714714
2,4-difluoro-6-(1,4-oxazepan-4-yl)aniline
CID 115506948
3-amino-5-fluoro-1-(2-morpholin-4-ylethyl)pyridin-2-one
CID 130269256
3,5-diamino-4-morpholin-4-ylbenzoic acid
CID 121474247
3,5-difluoro-2-(3-phenylazetidin-1-yl)aniline
CID 81312624
1-(2-amino-4,6-difluorophenyl)pyrrolidin-2-one
CID 81310286
4-chloro-3-fluoro-2-morpholin-4-ylaniline
CID 99802274
7-fluoro-8-(1,4-oxazepan-4-yl)quinolin-5-amine
CID 83164110
4-[(3,5-difluoro-2-pyridinyl)methyl]morpholine
CID 171333753
4-(2,6-difluorophenyl)morpholine;ethane
CID 156637338
3,5-difluoro-4-(1,4-oxazepan-4-yl)benzoic acid
CID 63077385
5-fluoro-2-(2-morpholin-4-ylethylsulfinyl)aniline
CID 81191706

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-2-morpholin-4-ylaniline?
The IUPAC name of 3,5-difluoro-2-morpholin-4-ylaniline (CID 81312473) is 3,5-difluoro-2-morpholin-4-ylaniline.
What is the SMILES notation for 3,5-difluoro-2-morpholin-4-ylaniline?
The canonical SMILES for 3,5-difluoro-2-morpholin-4-ylaniline is Nc1cc(F)cc(F)c1N1CCOCC1.
What is the InChIKey of 3,5-difluoro-2-morpholin-4-ylaniline?
The InChIKey is VMRVZWDNYHGWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O/c11-7-5-8(12)10(9(13)6-7)14-1-3-15-4-2-14/h5-6H,1-4,13H2.
What are the key properties of 3,5-difluoro-2-morpholin-4-ylaniline?
3,5-difluoro-2-morpholin-4-ylaniline has a molecular weight of 214.22 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-2-morpholin-4-ylaniline is sourced from PubChem (CID 81312473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).