[2-(trifluoromethyl)phenyl]methylcarbamic acid

C9H8F3NO2 — CID 21076565

IUPAC[2-(trifluoromethyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-4-2-1-3-6(7)5-13-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyUWVHSDSISADQKM-UHFFFAOYSA-N
MW219.16 g/mol
LogP2.47
Rot. Bonds2

About [2-(trifluoromethyl)phenyl]methylcarbamic acid

[2-(trifluoromethyl)phenyl]methylcarbamic acid (PubChem CID 21076565) has the molecular formula C9H8F3NO2 and a molecular weight of 219.16 g/mol. Its IUPAC name is [2-(trifluoromethyl)phenyl]methylcarbamic acid.

Molecular Properties

Compound Name[2-(trifluoromethyl)phenyl]methylcarbamic acid
PubChem CID21076565
Molecular FormulaC9H8F3NO2
Molecular Weight219.16 g/mol
Exact Mass219.05
IUPAC Name[2-(trifluoromethyl)phenyl]methylcarbamic acid
SMILESO=C(O)NCc1ccccc1C(F)(F)F
InChIInChI=1S/C9H8F3NO2/c10-9(11,12)7-4-2-1-3-6(7)5-13-8(14)15/h1-4,13H,5H2,(H,14,15)
InChIKeyUWVHSDSISADQKM-UHFFFAOYSA-N
XLogP2.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.16
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

CID 232620
CID 232620
CID 230053
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CID 230121
CID 230121
CID 826765
CID 826765
CID 2064101
CID 2064101
CID 9397960
CID 9397960
CID 448551
CID 448551
CID 230054
CID 230054
CID 69154864
CID 69154864
CID 611751
CID 611751
CID 23383550
CID 23383550
CID 23000607
CID 23000607

Frequently Asked Questions

What is the IUPAC name of [2-(trifluoromethyl)phenyl]methylcarbamic acid?
The IUPAC name of [2-(trifluoromethyl)phenyl]methylcarbamic acid (CID 21076565) is [2-(trifluoromethyl)phenyl]methylcarbamic acid.
What is the SMILES notation for [2-(trifluoromethyl)phenyl]methylcarbamic acid?
The canonical SMILES for [2-(trifluoromethyl)phenyl]methylcarbamic acid is O=C(O)NCc1ccccc1C(F)(F)F.
What is the InChIKey of [2-(trifluoromethyl)phenyl]methylcarbamic acid?
The InChIKey is UWVHSDSISADQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2/c10-9(11,12)7-4-2-1-3-6(7)5-13-8(14)15/h1-4,13H,5H2,(H,14,15).
What are the key properties of [2-(trifluoromethyl)phenyl]methylcarbamic acid?
[2-(trifluoromethyl)phenyl]methylcarbamic acid has a molecular weight of 219.16 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(trifluoromethyl)phenyl]methylcarbamic acid is sourced from PubChem (CID 21076565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).