(Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine

C10H14FNS — CID 176949668

IUPAC(Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine
SMILESC=CC1=C(/C(F)=C(\C)NC)CSC1
InChIInChI=1S/C10H14FNS/c1-4-8-5-13-6-9(8)10(11)7(2)12-3/h4,12H,1,5-6H2,2-3H3/b10-7-
InChIKeyDVJKHAKITBGOEQ-YFHOEESVSA-N
MW199.29 g/mol
LogP2.64
Rot. Bonds3

About (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine

(Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine (PubChem CID 176949668) has the molecular formula C10H14FNS and a molecular weight of 199.29 g/mol. Its IUPAC name is (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine
PubChem CID176949668
Molecular FormulaC10H14FNS
Molecular Weight199.29 g/mol
Exact Mass199.08
IUPAC Name(Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine
SMILESC=CC1=C(/C(F)=C(\C)NC)CSC1
InChIInChI=1S/C10H14FNS/c1-4-8-5-13-6-9(8)10(11)7(2)12-3/h4,12H,1,5-6H2,2-3H3/b10-7-
InChIKeyDVJKHAKITBGOEQ-YFHOEESVSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-Difluorocyclohexa-1,5-dien-1-yl)-2,4-dimethyl-2,3-dihydro-1,3-thiazole
CID 163782421
(5E,7E,9E)-7,9-difluoro-8-methyl-1-thia-4-azacyclododeca-5,7,9-triene
CID 144983834
(2E,4Z)-N-methyl-6-(methylsulfanylmethyl)hepta-2,4,6-trien-3-amine
CID 134516437
(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine;ethane
CID 143719097
(1E)-1-[(3Z)-3-(1-aminoethylidene)thiophen-2-ylidene]-N-methylpropan-1-amine
CID 143719098

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine?
The IUPAC name of (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine (CID 176949668) is (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine.
What is the SMILES notation for (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine?
The canonical SMILES for (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine is C=CC1=C(/C(F)=C(\C)NC)CSC1.
What is the InChIKey of (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine?
The InChIKey is DVJKHAKITBGOEQ-YFHOEESVSA-N. The full InChI is InChI=1S/C10H14FNS/c1-4-8-5-13-6-9(8)10(11)7(2)12-3/h4,12H,1,5-6H2,2-3H3/b10-7-.
What are the key properties of (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine?
(Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine has a molecular weight of 199.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-ethenyl-2,5-dihydrothiophen-3-yl)-1-fluoro-N-methylprop-1-en-2-amine is sourced from PubChem (CID 176949668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).