cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid

C7H10F3NO4 — CID 146452991

IUPACcyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)NCC1CC1
InChIInChI=1S/C5H9NO2.C2HF3O2/c7-5(8)6-3-4-1-2-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7)
InChIKeyCWQBKNLWJRNZME-UHFFFAOYSA-N
MW229.15 g/mol
LogP1.30
Rot. Bonds2

About cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid

cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid (PubChem CID 146452991) has the molecular formula C7H10F3NO4 and a molecular weight of 229.15 g/mol. Its IUPAC name is cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namecyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid
PubChem CID146452991
Molecular FormulaC7H10F3NO4
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Namecyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)NCC1CC1
InChIInChI=1S/C5H9NO2.C2HF3O2/c7-5(8)6-3-4-1-2-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7)
InChIKeyCWQBKNLWJRNZME-UHFFFAOYSA-N
XLogP1.30
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid (CID 146452991) is cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)NCC1CC1.
What is the InChIKey of cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid?
The InChIKey is CWQBKNLWJRNZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO2.C2HF3O2/c7-5(8)6-3-4-1-2-4;3-2(4,5)1(6)7/h4,6H,1-3H2,(H,7,8);(H,6,7).
What are the key properties of cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid?
cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid has a molecular weight of 229.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropylmethylcarbamic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146452991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).