(1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine

C7H8FNS — CID 130706324

IUPAC(1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1sccc1F
InChIInChI=1S/C7H8FNS/c1-2-6(9)7-5(8)3-4-10-7/h2-4,6H,1,9H2/t6-/m0/s1
InChIKeyJNTCHSSWYAYPQB-LURJTMIESA-N
MW157.21 g/mol
LogP2.07
Rot. Bonds2

About (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine

(1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine (PubChem CID 130706324) has the molecular formula C7H8FNS and a molecular weight of 157.21 g/mol. Its IUPAC name is (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine
PubChem CID130706324
Molecular FormulaC7H8FNS
Molecular Weight157.21 g/mol
Exact Mass157.04
IUPAC Name(1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1sccc1F
InChIInChI=1S/C7H8FNS/c1-2-6(9)7-5(8)3-4-10-7/h2-4,6H,1,9H2/t6-/m0/s1
InChIKeyJNTCHSSWYAYPQB-LURJTMIESA-N
XLogP2.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 52.07
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

(1R)-1-(3-methylthiophen-2-yl)prop-2-en-1-amine
CID 55274809
(1R)-1-(3-chlorothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171203185
(1R)-1-(3-bromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
CID 171211010
(1S)-1-(3-fluorothiophen-2-yl)propan-1-amine
CID 130691935
1-(3-fluorothiophen-2-yl)-2-(1,3-thiazol-2-yl)ethanamine
CID 130594678
2-[bromo-(4-bromophenyl)methyl]-3-fluorothiophene
CID 130594330
(1R)-1-(4-fluorothiophen-3-yl)prop-2-en-1-amine
CID 131076071
2,3-dihydrofuran-5-yl-(3-fluorothiophen-2-yl)methanamine
CID 130594693
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55282989
1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
(1R)-1-(3,4-difluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171210030

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine (CID 130706324) is (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine is C=C[C@H](N)c1sccc1F.
What is the InChIKey of (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine?
The InChIKey is JNTCHSSWYAYPQB-LURJTMIESA-N. The full InChI is InChI=1S/C7H8FNS/c1-2-6(9)7-5(8)3-4-10-7/h2-4,6H,1,9H2/t6-/m0/s1.
What are the key properties of (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine?
(1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine has a molecular weight of 157.21 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluorothiophen-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 130706324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).