2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine

C10H12FNS — CID 103068055

IUPAC2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CN)CSc1ccccc1F
InChIInChI=1S/C10H12FNS/c1-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-5H,1,6-7,12H2
InChIKeyUUVFERXCPCIPQS-UHFFFAOYSA-N
MW197.28 g/mol
LogP2.43
Rot. Bonds4

About 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine

2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine (PubChem CID 103068055) has the molecular formula C10H12FNS and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine
PubChem CID103068055
Molecular FormulaC10H12FNS
Molecular Weight197.28 g/mol
Exact Mass197.07
IUPAC Name2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine
SMILESC=C(CN)CSc1ccccc1F
InChIInChI=1S/C10H12FNS/c1-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-5H,1,6-7,12H2
InChIKeyUUVFERXCPCIPQS-UHFFFAOYSA-N
XLogP2.43
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.43
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

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CID 66051849
2-(2-fluorophenyl)sulfanylacetic acid
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CID 60623990
1-bromo-3-(2-fluorophenyl)sulfanylpropan-2-ol
CID 112560931
[2-fluoro-6-(2-fluorophenyl)sulfanylphenyl]methanamine
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1-(2-fluorophenyl)sulfanyl-3-methylpentan-2-one
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3-(2-fluorophenyl)sulfanyl-N'-hydroxypropanimidamide
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2-(2-fluorophenyl)sulfanyl-1-pyrrolidin-1-ylethanone
CID 39965228
2-(2-fluorophenyl)sulfanyl-N-[(2-methylpropan-2-yl)oxy]acetamide
CID 82724258
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
[1-[2-(2-fluorophenyl)sulfanylethyl]cyclopropyl]methanamine
CID 84790406
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(2-fluorophenyl)sulfanylethanone
CID 106671689

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine?
The IUPAC name of 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine (CID 103068055) is 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine?
The canonical SMILES for 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine is C=C(CN)CSc1ccccc1F.
What is the InChIKey of 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine?
The InChIKey is UUVFERXCPCIPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNS/c1-8(6-12)7-13-10-5-3-2-4-9(10)11/h2-5H,1,6-7,12H2.
What are the key properties of 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine?
2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-fluorophenyl)sulfanylmethyl]prop-2-en-1-amine is sourced from PubChem (CID 103068055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).