5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine

C9H12FNO — CID 123877582

IUPAC5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine
SMILESC=CC1=C(C(=C)F)OCCC1N
InChIInChI=1S/C9H12FNO/c1-3-7-8(11)4-5-12-9(7)6(2)10/h3,8H,1-2,4-5,11H2
InChIKeyHJDIGAKLRVXUKN-UHFFFAOYSA-N
MW169.20 g/mol
LogP1.66
Rot. Bonds2

About 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine

5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine (PubChem CID 123877582) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine.

Molecular Properties

Compound Name5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine
PubChem CID123877582
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine
SMILESC=CC1=C(C(=C)F)OCCC1N
InChIInChI=1S/C9H12FNO/c1-3-7-8(11)4-5-12-9(7)6(2)10/h3,8H,1-2,4-5,11H2
InChIKeyHJDIGAKLRVXUKN-UHFFFAOYSA-N
XLogP1.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2-methylideneoxolan-3-amine
CID 173483018
(3S)-2-methylideneoxolan-3-amine
CID 146695810
ethene;2-ethenyl-3-methylcyclopent-2-en-1-amine
CID 142463301
5,6-bis(ethenyl)-4-propan-2-yl-3,4-dihydro-2H-pyran
CID 156791141
CID 131852156
CID 131852156
(3S)-3-aminooxolan-2-one;hydrochloride
CID 2733667
3-amino-2-ethenylcyclopentene-1-thiol;ethane;molecular hydrogen
CID 143680289
(3S)-3-aminooxolan-2-one;ethane
CID 90724165
[4-(1-bromoethenyl)-5-ethenyl-3,6-dihydro-2H-pyran-6-yl]methanamine;ethane
CID 171496799
(4S)-4-amino-5-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 130611343
4-amino-8-fluoro-3,4-dihydro-2H-chromen-6-ol
CID 55294990
5,8-difluoro-3,4-dihydro-2H-chromen-4-amine
CID 59704967

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine?
The IUPAC name of 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine (CID 123877582) is 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine.
What is the SMILES notation for 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine?
The canonical SMILES for 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine is C=CC1=C(C(=C)F)OCCC1N.
What is the InChIKey of 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine?
The InChIKey is HJDIGAKLRVXUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO/c1-3-7-8(11)4-5-12-9(7)6(2)10/h3,8H,1-2,4-5,11H2.
What are the key properties of 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine?
5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine has a molecular weight of 169.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-6-(1-fluoroethenyl)-3,4-dihydro-2H-pyran-4-amine is sourced from PubChem (CID 123877582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).