(5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine

C12H13F2NS — CID 114378271

IUPAC(5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
SMILESCC(C)c1c(CN)sc2c(F)cc(F)cc12
InChIInChI=1S/C12H13F2NS/c1-6(2)11-8-3-7(13)4-9(14)12(8)16-10(11)5-15/h3-4,6H,5,15H2,1-2H3
InChIKeyBPAQWBZVOIYFNN-UHFFFAOYSA-N
MW241.31 g/mol
LogP3.76
Rot. Bonds2

About (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine

(5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine (PubChem CID 114378271) has the molecular formula C12H13F2NS and a molecular weight of 241.31 g/mol. Its IUPAC name is (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
PubChem CID114378271
Molecular FormulaC12H13F2NS
Molecular Weight241.31 g/mol
Exact Mass241.07
IUPAC Name(5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
SMILESCC(C)c1c(CN)sc2c(F)cc(F)cc12
InChIInChI=1S/C12H13F2NS/c1-6(2)11-8-3-7(13)4-9(14)12(8)16-10(11)5-15/h3-4,6H,5,15H2,1-2H3
InChIKeyBPAQWBZVOIYFNN-UHFFFAOYSA-N
XLogP3.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5,7-difluoro-3-propyl-1-benzothiophen-2-yl)methyl]propan-2-amine
CID 114378266
(5,6-dimethyl-3-propan-2-yl-1-benzothiophen-2-yl)methanamine
CID 114378180
2-butan-2-yl-3-chloro-5,7-difluoro-1-benzothiophene
CID 71088766
[4-(2-methylpropyl)-2-(2,4,6-trifluorophenyl)-1,3-thiazol-5-yl]methanamine
CID 107920989
N-[(3-cyclopropyl-5,7-difluoro-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378264
3-chloro-5,7-difluoro-2-methyl-1-benzothiophene;propane
CID 143670316
(7-fluoro-3-methoxy-1-benzothiophen-2-yl)methanamine
CID 112546161
N-[(5-fluoro-3-propan-2-yl-1-benzothiophen-2-yl)methyl]-2-methylpropan-1-amine
CID 114378033
(4-propan-2-ylphenyl)-(2,4,6-trifluorophenyl)methanamine
CID 43198710
5,7-difluoro-4-propan-2-yl-1,3-benzothiazol-2-amine
CID 164904591
7-fluoro-1-propan-2-ylnaphthalen-2-amine
CID 115057667
3-(2,4,6-trifluorophenyl)butanamide
CID 164885056

Frequently Asked Questions

What is the IUPAC name of (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine (CID 114378271) is (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine is CC(C)c1c(CN)sc2c(F)cc(F)cc12.
What is the InChIKey of (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
The InChIKey is BPAQWBZVOIYFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NS/c1-6(2)11-8-3-7(13)4-9(14)12(8)16-10(11)5-15/h3-4,6H,5,15H2,1-2H3.
What are the key properties of (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine?
(5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine has a molecular weight of 241.31 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-difluoro-3-propan-2-yl-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 114378271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).