3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol

C11H14F3NOS — CID 63900408

IUPAC3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(Cc1ccsc1)C1CC1)C(F)(F)F
InChIInChI=1S/C11H14F3NOS/c12-11(13,14)10(16)6-15(9-1-2-9)5-8-3-4-17-7-8/h3-4,7,9-10,16H,1-2,5-6H2
InChIKeyOFGPEAMIRCZJDC-UHFFFAOYSA-N
MW265.30 g/mol
LogP2.64
Rot. Bonds5

About 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol

3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol (PubChem CID 63900408) has the molecular formula C11H14F3NOS and a molecular weight of 265.30 g/mol. Its IUPAC name is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
PubChem CID63900408
Molecular FormulaC11H14F3NOS
Molecular Weight265.30 g/mol
Exact Mass265.07
IUPAC Name3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol
SMILESOC(CN(Cc1ccsc1)C1CC1)C(F)(F)F
InChIInChI=1S/C11H14F3NOS/c12-11(13,14)10(16)6-15(9-1-2-9)5-8-3-4-17-7-8/h3-4,7,9-10,16H,1-2,5-6H2
InChIKeyOFGPEAMIRCZJDC-UHFFFAOYSA-N
XLogP2.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-[cyclopropyl(thiophen-3-ylmethyl)amino]propan-2-ol
CID 103159831
1-[cyclopropyl(thiophen-3-ylmethyl)amino]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 24713468
1-N-cyclopropyl-1-N-(thiophen-3-ylmethyl)butane-1,2-diamine
CID 61435222
N-[(4-iodophenyl)methyl]-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 65478755
3-[cyclohexyl-[[3-(trifluoromethyl)phenyl]methyl]amino]-1,1,1-trifluoropropan-2-ol
CID 10177110
N-cyclopropyl-2,2,2-trifluoro-N-(thiophen-3-ylmethyl)acetamide
CID 62728427
N-(2-chloroethyl)-N-(thiophen-3-ylmethyl)cyclopropanamine
CID 61435255
2-[cyclopropyl(thiophen-3-ylmethyl)amino]acetamide
CID 47288219
4-[cyclopropyl(thiophen-3-ylmethyl)amino]butan-1-ol
CID 61435347
3-[cyclopropyl(thiophen-3-ylmethyl)amino]propanoic acid
CID 60838165
6-[cyclopropyl(thiophen-3-ylmethyl)amino]hexan-1-ol
CID 103737857
1-N-cyclopropyl-2-methyl-1-N-(thiophen-3-ylmethyl)heptane-1,6-diamine
CID 65296493

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol (CID 63900408) is 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol is OC(CN(Cc1ccsc1)C1CC1)C(F)(F)F.
What is the InChIKey of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
The InChIKey is OFGPEAMIRCZJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NOS/c12-11(13,14)10(16)6-15(9-1-2-9)5-8-3-4-17-7-8/h3-4,7,9-10,16H,1-2,5-6H2.
What are the key properties of 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol?
3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol has a molecular weight of 265.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(thiophen-3-ylmethyl)amino]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63900408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).