1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

C13H18ClF4NOS — CID 103475919

IUPAC1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)C(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C13H18ClF4NOS/c1-2-5-19-9(6-10-3-4-11(14)21-10)7-20-8-13(17,18)12(15)16/h3-4,9,12,19H,2,5-8H2,1H3
InChIKeyNRTITWMLBCPQOS-UHFFFAOYSA-N
MW347.81 g/mol
LogP4.23
Rot. Bonds10

About 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine

1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (PubChem CID 103475919) has the molecular formula C13H18ClF4NOS and a molecular weight of 347.81 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
PubChem CID103475919
Molecular FormulaC13H18ClF4NOS
Molecular Weight347.81 g/mol
Exact Mass347.07
IUPAC Name1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine
SMILESCCCNC(COCC(F)(F)C(F)F)Cc1ccc(Cl)s1
InChIInChI=1S/C13H18ClF4NOS/c1-2-5-19-9(6-10-3-4-11(14)21-10)7-20-8-13(17,18)12(15)16/h3-4,9,12,19H,2,5-8H2,1H3
InChIKeyNRTITWMLBCPQOS-UHFFFAOYSA-N
XLogP4.23
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.81
LogP ≤ 54.23
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-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474045
1-(5-bromothiophen-2-yl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103214960
1-(5-chlorothiophen-2-yl)-N-propylundecan-2-amine
CID 115841634
1-(5-chlorothiophen-2-yl)-4-methyl-N-propylhexan-2-amine
CID 115841697
1-(5-chlorothiophen-2-yl)-4,4,4-trifluoro-N-propyl-3-(trifluoromethyl)butan-2-amine
CID 103311839
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)heptan-2-amine
CID 103475943
1-(5-chlorothiophen-2-yl)-3-(4-methylphenyl)-N-propylpropan-2-amine
CID 63416020
1-(5-chlorothiophen-2-yl)-N-methyl-3-propoxypropan-2-amine
CID 62604517
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)nonan-2-amine
CID 103475868
N-propyl-1-(2,2,3,3-tetrafluoropropoxy)hex-4-yn-2-amine
CID 103475962
1-(5-chlorothiophen-2-yl)-4-phenyl-N-propylbutan-2-amine
CID 63417307
1-(2,3-dichlorophenyl)-N-propyl-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 107309194

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine (CID 103475919) is 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is CCCNC(COCC(F)(F)C(F)F)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
The InChIKey is NRTITWMLBCPQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClF4NOS/c1-2-5-19-9(6-10-3-4-11(14)21-10)7-20-8-13(17,18)12(15)16/h3-4,9,12,19H,2,5-8H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine?
1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine has a molecular weight of 347.81 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-propyl-3-(2,2,3,3-tetrafluoropropoxy)propan-2-amine is sourced from PubChem (CID 103475919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).