2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine

C10H13F2NO — CID 143080518

IUPAC2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine
SMILESC=CC(F)(F)C(N)C1=CC=CC(C)O1
InChIInChI=1S/C10H13F2NO/c1-3-10(11,12)9(13)8-6-4-5-7(2)14-8/h3-7,9H,1,13H2,2H3
InChIKeyRSOOKRISZTVJPP-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.99
Rot. Bonds3

About 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine

2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine (PubChem CID 143080518) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine.

Molecular Properties

Compound Name2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine
PubChem CID143080518
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine
SMILESC=CC(F)(F)C(N)C1=CC=CC(C)O1
InChIInChI=1S/C10H13F2NO/c1-3-10(11,12)9(13)8-6-4-5-7(2)14-8/h3-7,9H,1,13H2,2H3
InChIKeyRSOOKRISZTVJPP-UHFFFAOYSA-N
XLogP1.99
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2,2,2-Trifluoroethoxy)cyclohexa-1,5-dien-1-yl]ethanamine
CID 68097267
6-Methyl-6-(2,2,2-trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 70201761
6-(Trifluoromethoxy)cyclohexa-2,4-dien-1-amine
CID 123991293
(5Z)-5-ethoxy-3,3-difluorohepta-1,5-dien-4-amine
CID 142810445
4-Fluoro-6-pentan-2-yloxycyclohexa-2,4-dien-1-amine
CID 148191835
(3Z,5Z)-5-(3,3,3-trifluoropropoxy)octa-3,5-dien-2-amine
CID 163869876
6-(2,2,2-Trifluoroethoxy)cyclohexa-2,4-dien-1-amine
CID 166661463
2,2,2-trifluoro-1-(2H-pyran-2-yl)ethanamine
CID 175752902
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-difluoropropan-1-amine
CID 130621932
(5Z)-5-ethoxy-3,3-difluoroocta-1,5,7-trien-4-amine
CID 142810450
3,3,3-trifluoro-1-(2-methyl-3,4-dihydro-2H-pyran-6-yl)propan-1-amine
CID 143080457
4-Fluoro-6-propan-2-yloxycyclohexa-2,4-dien-1-amine
CID 145312380

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine?
The IUPAC name of 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine (CID 143080518) is 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine.
What is the SMILES notation for 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine?
The canonical SMILES for 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine is C=CC(F)(F)C(N)C1=CC=CC(C)O1.
What is the InChIKey of 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine?
The InChIKey is RSOOKRISZTVJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-3-10(11,12)9(13)8-6-4-5-7(2)14-8/h3-7,9H,1,13H2,2H3.
What are the key properties of 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine?
2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine has a molecular weight of 201.22 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(2-methyl-2H-pyran-6-yl)but-3-en-1-amine is sourced from PubChem (CID 143080518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).