5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine

C10H14FNS — CID 163602540

IUPAC5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine
SMILESC=C/C(F)=C\C1=C(C)C(N)C(C)S1
InChIInChI=1S/C10H14FNS/c1-4-8(11)5-9-6(2)10(12)7(3)13-9/h4-5,7,10H,1,12H2,2-3H3/b8-5+
InChIKeyGYWSOZFEZLKDOV-VMPITWQZSA-N
MW199.29 g/mol
LogP2.76
Rot. Bonds2

About 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine

5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine (PubChem CID 163602540) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine.

Molecular Properties

Compound Name5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine
PubChem CID163602540
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine
SMILESC=C/C(F)=C\C1=C(C)C(N)C(C)S1
InChIInChI=1S/C10H14FNS/c1-4-8(11)5-9-6(2)10(12)7(3)13-9/h4-5,7,10H,1,12H2,2-3H3/b8-5+
InChIKeyGYWSOZFEZLKDOV-VMPITWQZSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Butylsulfanyl-6-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 118240015
1-Fluoro-3-[4-(fluoromethylsulfanyl)cyclohexa-1,5-dien-1-yl]propan-2-amine
CID 129313233
6-fluoro-3,4,7,8-tetrahydro-2H-thiochromen-4-amine
CID 167506405
1-Fluoro-3-[5-(3-fluoropropylsulfanyl)cyclohepta-1,3,6-trien-1-yl]propan-2-amine
CID 143418283
2-Methyl-4-(4-methyl-2,3-dihydrothiophen-2-yl)cyclohexa-2,4-dien-1-amine
CID 70974519
(Z,3S)-5-methyl-4-methylidene-1-methylsulfanylhept-5-en-3-amine
CID 89002712
7-Methyl-5,6-dihydro-1-benzothiophen-6-amine
CID 89073817
5,6-Dihydro-1-benzothiophen-5-amine
CID 89074072
(4Z,9Z)-6-methylidene-10-methylsulfanyldeca-4,9-dien-3-amine
CID 89074128
(E,3S)-4-methylidene-1-methylsulfanylhept-5-en-3-amine
CID 89096198
4-Ethenyl-2-methyl-3-methylsulfanylcyclohexa-2,4-dien-1-amine
CID 89153838
(E,3S)-4-methylidene-1-methylsulfanyloct-5-en-3-amine
CID 89292777

Frequently Asked Questions

What is the IUPAC name of 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine?
The IUPAC name of 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine (CID 163602540) is 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine.
What is the SMILES notation for 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine?
The canonical SMILES for 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine is C=C/C(F)=C\C1=C(C)C(N)C(C)S1.
What is the InChIKey of 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine?
The InChIKey is GYWSOZFEZLKDOV-VMPITWQZSA-N. The full InChI is InChI=1S/C10H14FNS/c1-4-8(11)5-9-6(2)10(12)7(3)13-9/h4-5,7,10H,1,12H2,2-3H3/b8-5+.
What are the key properties of 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine?
5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine has a molecular weight of 199.29 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1E)-2-fluorobuta-1,3-dienyl]-2,4-dimethyl-2,3-dihydrothiophen-3-amine is sourced from PubChem (CID 163602540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).