[5-(trifluoromethyl)furan-2-yl]carbamic acid

C6H4F3NO3 — CID 135357141

IUPAC[5-(trifluoromethyl)furan-2-yl]carbamic acid
SMILESO=C(O)Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)3-1-2-4(13-3)10-5(11)12/h1-2,10H,(H,11,12)
InChIKeyOFWQRNWQPJKHAV-UHFFFAOYSA-N
MW195.10 g/mol
LogP2.39
Rot. Bonds1

About [5-(trifluoromethyl)furan-2-yl]carbamic acid

[5-(trifluoromethyl)furan-2-yl]carbamic acid (PubChem CID 135357141) has the molecular formula C6H4F3NO3 and a molecular weight of 195.10 g/mol. Its IUPAC name is [5-(trifluoromethyl)furan-2-yl]carbamic acid.

Molecular Properties

Compound Name[5-(trifluoromethyl)furan-2-yl]carbamic acid
PubChem CID135357141
Molecular FormulaC6H4F3NO3
Molecular Weight195.10 g/mol
Exact Mass195.01
IUPAC Name[5-(trifluoromethyl)furan-2-yl]carbamic acid
SMILESO=C(O)Nc1ccc(C(F)(F)F)o1
InChIInChI=1S/C6H4F3NO3/c7-6(8,9)3-1-2-4(13-3)10-5(11)12/h1-2,10H,(H,11,12)
InChIKeyOFWQRNWQPJKHAV-UHFFFAOYSA-N
XLogP2.39
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
CID 83680504
Ethyl (5-(trifluoromethyl)furan-2-yl)carbamate
CID 71370060
5-Trifluoromethyl-2-acetamidofuran
CID 85934454
Carbamic acid, (5-methyl-2-furanyl)-, 1,1-dimethylethyl ester
CID 10726590
2-Vinyl 5-amino furan
CID 89260072
N-(5-acetylfuran-2-yl)-2,2,2-trifluoroacetamide
CID 21434969
5-(Trifluoromethyl)furan-2-amine
CID 91884047
butyl N-[5-(trifluoromethyl)furan-2-yl]carbamate
CID 153638828
N,N-dimethyl-5-(trifluoromethyl)furan-2-amine
CID 167181620
2-methyl-4-(trifluoromethyl)-7H-furo[2,3-b]pyridin-6-one
CID 170376532
N-methyl-5-(trifluoromethyl)furan-2-amine
CID 174679528
Methane;5-(trifluoromethyl)furan-2-amine
CID 174679536

Frequently Asked Questions

What is the IUPAC name of [5-(trifluoromethyl)furan-2-yl]carbamic acid?
The IUPAC name of [5-(trifluoromethyl)furan-2-yl]carbamic acid (CID 135357141) is [5-(trifluoromethyl)furan-2-yl]carbamic acid.
What is the SMILES notation for [5-(trifluoromethyl)furan-2-yl]carbamic acid?
The canonical SMILES for [5-(trifluoromethyl)furan-2-yl]carbamic acid is O=C(O)Nc1ccc(C(F)(F)F)o1.
What is the InChIKey of [5-(trifluoromethyl)furan-2-yl]carbamic acid?
The InChIKey is OFWQRNWQPJKHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3/c7-6(8,9)3-1-2-4(13-3)10-5(11)12/h1-2,10H,(H,11,12).
What are the key properties of [5-(trifluoromethyl)furan-2-yl]carbamic acid?
[5-(trifluoromethyl)furan-2-yl]carbamic acid has a molecular weight of 195.10 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)furan-2-yl]carbamic acid is sourced from PubChem (CID 135357141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).