N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide

C7H6F3NOS — CID 174738943

IUPACN-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide
SMILESO=CNCc1ccc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)6-2-1-5(13-6)3-11-4-12/h1-2,4H,3H2,(H,11,12)
InChIKeyFRHYSDRXIBGLKE-UHFFFAOYSA-N
MW209.19 g/mol
LogP2.01
Rot. Bonds3

About N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide

N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide (PubChem CID 174738943) has the molecular formula C7H6F3NOS and a molecular weight of 209.19 g/mol. Its IUPAC name is N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide
PubChem CID174738943
Molecular FormulaC7H6F3NOS
Molecular Weight209.19 g/mol
Exact Mass209.01
IUPAC NameN-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide
SMILESO=CNCc1ccc(C(F)(F)F)s1
InChIInChI=1S/C7H6F3NOS/c8-7(9,10)6-2-1-5(13-6)3-11-4-12/h1-2,4H,3H2,(H,11,12)
InChIKeyFRHYSDRXIBGLKE-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

((Thiophen-2-yl)methyl)urea
CID 2799110
N-(thiophen-2-ylmethyl)formamide
CID 21017864
N-(1-thiophen-2-ylethyl)formamide
CID 18681499
2,2,2-Trifluoroethyl thien-2-ylmethylcarbamate
CID 9450078
3,3,3-trifluoro-N-(thiophen-2-ylmethyl)propanamide
CID 45808089
2,2,2-trifluoro-N-(thiophen-2-ylmethyl)acetamide
CID 3327556
(5-(Trifluoromethyl)thiophen-2-yl)methanamine
CID 22612180
N-[(5-bromothiophen-2-yl)methyl]-2,2,2-trifluoroacetamide
CID 59781614
2,2,2-trifluoro-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 62727313
1-Carbamothioyl-3-[[5-(trifluoromethyl)thiophen-2-yl]methyl]urea
CID 122429287
N-[({[5-(trifluoromethyl)thiophen-2-yl]methyl}amino)carbonyl]-carbamimidothioate
CID 137222789
2-fluoro-N-(thiophen-2-ylmethyl)acetamide
CID 150063829

Frequently Asked Questions

What is the IUPAC name of N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide?
The IUPAC name of N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide (CID 174738943) is N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide.
What is the SMILES notation for N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide?
The canonical SMILES for N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide is O=CNCc1ccc(C(F)(F)F)s1.
What is the InChIKey of N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide?
The InChIKey is FRHYSDRXIBGLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NOS/c8-7(9,10)6-2-1-5(13-6)3-11-4-12/h1-2,4H,3H2,(H,11,12).
What are the key properties of N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide?
N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide has a molecular weight of 209.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(trifluoromethyl)thiophen-2-yl]methyl]formamide is sourced from PubChem (CID 174738943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).