[4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine

C16H20FNO — CID 171496742

IUPAC[4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine
SMILESC=CC1=C(C(=C)C(=C)/C=C\C(=C)F)COCC1CN
InChIInChI=1S/C16H20FNO/c1-5-15-14(8-18)9-19-10-16(15)13(4)11(2)6-7-12(3)17/h5-7,14H,1-4,8-10,18H2/b7-6-
InChIKeyAZXRYXMQZPVYQC-SREVYHEPSA-N
MW261.34 g/mol
LogP3.23
Rot. Bonds6

About [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine

[4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine (PubChem CID 171496742) has the molecular formula C16H20FNO and a molecular weight of 261.34 g/mol. Its IUPAC name is [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine.

Molecular Properties

Compound Name[4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine
PubChem CID171496742
Molecular FormulaC16H20FNO
Molecular Weight261.34 g/mol
Exact Mass261.15
IUPAC Name[4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine
SMILESC=CC1=C(C(=C)C(=C)/C=C\C(=C)F)COCC1CN
InChIInChI=1S/C16H20FNO/c1-5-15-14(8-18)9-19-10-16(15)13(4)11(2)6-7-12(3)17/h5-7,14H,1-4,8-10,18H2/b7-6-
InChIKeyAZXRYXMQZPVYQC-SREVYHEPSA-N
XLogP3.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine with MolForge

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Related Compounds

1-[4-(3,6-dihydro-2H-pyran-4-yl)cyclohepta-1,3,5-trien-1-yl]-3-fluoropropan-2-amine
CID 129313849
6-(Cyclohexa-1,5-dien-1-ylmethoxy)hexan-1-amine
CID 145311471
(3Z)-6-[3-(aminomethyl)-4-ethenyl-3,6-dihydro-2H-pyran-5-yl]-2,5-dimethylidenehepta-3,6-dienenitrile
CID 171496652

Frequently Asked Questions

What is the IUPAC name of [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine?
The IUPAC name of [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine (CID 171496742) is [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine.
What is the SMILES notation for [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine?
The canonical SMILES for [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine is C=CC1=C(C(=C)C(=C)/C=C\C(=C)F)COCC1CN.
What is the InChIKey of [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine?
The InChIKey is AZXRYXMQZPVYQC-SREVYHEPSA-N. The full InChI is InChI=1S/C16H20FNO/c1-5-15-14(8-18)9-19-10-16(15)13(4)11(2)6-7-12(3)17/h5-7,14H,1-4,8-10,18H2/b7-6-.
What are the key properties of [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine?
[4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine has a molecular weight of 261.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethenyl-5-[(4Z)-6-fluoro-3-methylidenehepta-1,4,6-trien-2-yl]-3,6-dihydro-2H-pyran-3-yl]methanamine is sourced from PubChem (CID 171496742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).