[6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine

C14H16FN — CID 163575105

IUPAC[6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine
SMILES[H]/N=C/C1=C(/C=C\C)C2=C(CC1)CC(F)C=C2
InChIInChI=1S/C14H16FN/c1-2-3-13-11(9-16)5-4-10-8-12(15)6-7-14(10)13/h2-3,6-7,9,12,16H,4-5,8H2,1H3/b3-2-,16-9+
InChIKeyGCTVGAXNTPYAHJ-BBWAFEGOSA-N
MW217.29 g/mol
LogP3.90
Rot. Bonds2

About [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine

[6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine (PubChem CID 163575105) has the molecular formula C14H16FN and a molecular weight of 217.29 g/mol. Its IUPAC name is [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine.

Molecular Properties

Compound Name[6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine
PubChem CID163575105
Molecular FormulaC14H16FN
Molecular Weight217.29 g/mol
Exact Mass217.13
IUPAC Name[6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine
SMILES[H]/N=C/C1=C(/C=C\C)C2=C(CC1)CC(F)C=C2
InChIInChI=1S/C14H16FN/c1-2-3-13-11(9-16)5-4-10-8-12(15)6-7-14(10)13/h2-3,6-7,9,12,16H,4-5,8H2,1H3/b3-2-,16-9+
InChIKeyGCTVGAXNTPYAHJ-BBWAFEGOSA-N
XLogP3.90
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine?
The IUPAC name of [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine (CID 163575105) is [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine.
What is the SMILES notation for [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine?
The canonical SMILES for [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine is [H]/N=C/C1=C(/C=C\C)C2=C(CC1)CC(F)C=C2.
What is the InChIKey of [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine?
The InChIKey is GCTVGAXNTPYAHJ-BBWAFEGOSA-N. The full InChI is InChI=1S/C14H16FN/c1-2-3-13-11(9-16)5-4-10-8-12(15)6-7-14(10)13/h2-3,6-7,9,12,16H,4-5,8H2,1H3/b3-2-,16-9+.
What are the key properties of [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine?
[6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine has a molecular weight of 217.29 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-1-[(Z)-prop-1-enyl]-3,4,5,6-tetrahydronaphthalen-2-yl]methanimine is sourced from PubChem (CID 163575105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).