1-(2-fluorophenyl)sulfanylhept-6-en-2-amine

C13H18FNS — CID 66052111

IUPAC1-(2-fluorophenyl)sulfanylhept-6-en-2-amine
SMILESC=CCCCC(N)CSc1ccccc1F
InChIInChI=1S/C13H18FNS/c1-2-3-4-7-11(15)10-16-13-9-6-5-8-12(13)14/h2,5-6,8-9,11H,1,3-4,7,10,15H2
InChIKeyRGIZQTXVXYXPPC-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.60
Rot. Bonds7

About 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine

1-(2-fluorophenyl)sulfanylhept-6-en-2-amine (PubChem CID 66052111) has the molecular formula C13H18FNS and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfanylhept-6-en-2-amine
PubChem CID66052111
Molecular FormulaC13H18FNS
Molecular Weight239.36 g/mol
Exact Mass239.11
IUPAC Name1-(2-fluorophenyl)sulfanylhept-6-en-2-amine
SMILESC=CCCCC(N)CSc1ccccc1F
InChIInChI=1S/C13H18FNS/c1-2-3-4-7-11(15)10-16-13-9-6-5-8-12(13)14/h2,5-6,8-9,11H,1,3-4,7,10,15H2
InChIKeyRGIZQTXVXYXPPC-UHFFFAOYSA-N
XLogP3.60
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)sulfanyl-N-methylhept-6-en-2-amine
CID 66054051
1-(2,6-difluorophenyl)hept-6-en-2-amine
CID 104986671
1-(2-fluorophenyl)sulfanylhept-5-yn-2-amine
CID 104806211
1-(2,3-difluorophenyl)non-8-en-2-amine
CID 107011377
1-(2-fluorophenyl)sulfanyl-3-(furan-2-yl)propan-2-amine
CID 83175961
1-(2-fluorophenyl)sulfanyl-3-pyridin-2-ylpropan-2-amine
CID 66051531
1-(2-bromo-3-fluorophenyl)hex-5-en-1-amine
CID 104987122
1-(2-fluorophenyl)sulfanyl-N-methylbut-3-en-2-amine
CID 66053663
1-(2-fluorophenyl)sulfanyl-3-thiophen-3-ylpropan-2-amine
CID 66051534
N-ethyl-1-(2-fluorophenyl)sulfanylpent-4-en-2-amine
CID 66051551
1-(2-fluorophenyl)sulfanyl-3-(2-methyltetrazol-5-yl)propan-2-amine
CID 107049641
1-(4-fluoro-2-methylphenyl)-3-(2-fluorophenyl)sulfanylpropan-2-amine
CID 114348029

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine?
The IUPAC name of 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine (CID 66052111) is 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine is C=CCCCC(N)CSc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine?
The InChIKey is RGIZQTXVXYXPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNS/c1-2-3-4-7-11(15)10-16-13-9-6-5-8-12(13)14/h2,5-6,8-9,11H,1,3-4,7,10,15H2.
What are the key properties of 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine?
1-(2-fluorophenyl)sulfanylhept-6-en-2-amine has a molecular weight of 239.36 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfanylhept-6-en-2-amine is sourced from PubChem (CID 66052111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).