1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C14H15F4NOS — CID 103474741

IUPAC1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESNC(COCC(F)(F)C(F)F)Cc1csc2ccccc12
InChIInChI=1S/C14H15F4NOS/c15-13(16)14(17,18)8-20-6-10(19)5-9-7-21-12-4-2-1-3-11(9)12/h1-4,7,10,13H,5-6,8,19H2
InChIKeyFDLWMERRQFAIPW-UHFFFAOYSA-N
MW321.34 g/mol
LogP3.69
Rot. Bonds7

About 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103474741) has the molecular formula C14H15F4NOS and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103474741
Molecular FormulaC14H15F4NOS
Molecular Weight321.34 g/mol
Exact Mass321.08
IUPAC Name1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESNC(COCC(F)(F)C(F)F)Cc1csc2ccccc12
InChIInChI=1S/C14H15F4NOS/c15-13(16)14(17,18)8-20-6-10(19)5-9-7-21-12-4-2-1-3-11(9)12/h1-4,7,10,13H,5-6,8,19H2
InChIKeyFDLWMERRQFAIPW-UHFFFAOYSA-N
XLogP3.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-benzothiophen-3-yl)-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103147970
1-(1-benzothiophen-3-yl)-3-propan-2-yloxypropan-2-amine
CID 105116551
[3-(1-benzothiophen-3-yl)-1,1,1-trifluoropropan-2-yl]hydrazine
CID 105215688
1-(1-benzothiophen-3-yl)-3-(2,6-dichlorophenyl)propan-2-amine
CID 63737420
1-(1-benzothiophen-3-yl)heptan-2-amine
CID 115823990
2-(1-benzothiophen-3-yl)-1-phenylethanamine
CID 62720010
1-(1-benzothiophen-3-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 65135783
1-(5-chloro-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
CID 103475184
2-amino-3-(1-benzothiophen-3-yl)propanal
CID 23504453
3-(2,2,2-trifluoroethyl)-1-benzothiophene
CID 116932204
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840
1-(1-benzothiophen-3-yl)-3-(2-methylphenyl)sulfanylpropan-2-amine
CID 66097364

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103474741) is 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is NC(COCC(F)(F)C(F)F)Cc1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is FDLWMERRQFAIPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F4NOS/c15-13(16)14(17,18)8-20-6-10(19)5-9-7-21-12-4-2-1-3-11(9)12/h1-4,7,10,13H,5-6,8,19H2.
What are the key properties of 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 321.34 g/mol, XLogP of 3.69, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103474741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).