[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid

C7H10F2N2O3 — CID 90218211

IUPAC[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)NCC(F)F)CC1
InChIInChI=1S/C7H10F2N2O3/c8-4(9)3-10-5(12)7(1-2-7)11-6(13)14/h4,11H,1-3H2,(H,10,12)(H,13,14)
InChIKeyAQFVRMMOORKLKZ-UHFFFAOYSA-N
MW208.16 g/mol
LogP0.17
Rot. Bonds4

About [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid

[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid (PubChem CID 90218211) has the molecular formula C7H10F2N2O3 and a molecular weight of 208.16 g/mol. Its IUPAC name is [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid.

Molecular Properties

Compound Name[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid
PubChem CID90218211
Molecular FormulaC7H10F2N2O3
Molecular Weight208.16 g/mol
Exact Mass208.07
IUPAC Name[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid
SMILESO=C(O)NC1(C(=O)NCC(F)F)CC1
InChIInChI=1S/C7H10F2N2O3/c8-4(9)3-10-5(12)7(1-2-7)11-6(13)14/h4,11H,1-3H2,(H,10,12)(H,13,14)
InChIKeyAQFVRMMOORKLKZ-UHFFFAOYSA-N
XLogP0.17
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.16
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(2,2,2-trifluoroethyl)cyclopropanecarboxamide
CID 65464401
1-amino-N-(3,3,3-trifluoropropyl)cyclopropane-1-carboxamide
CID 65466888
1-amino-N-(2,2-difluoroethyl)cyclopropane-1-carboxamide
CID 81489042
Tert-butyl-[1-(2,2,2-trifluoroethylcarbamoyl)cyclopropyl]carbamic acid
CID 86722573
Tert-butyl(1-((2,2,2-trifluoroethyl)carbamoyl)cyclopropyl)carbamate
CID 86722600
2-[2-[(2,2,2-Trifluoroacetyl)amino]butanoylamino]ethylcarbamic acid
CID 87319478
[1-Oxo-1-(1,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 87773392
[1-Oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 87773817
tert-butyl-[(2S)-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 87869707
[2,3,3-Trimethyl-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]carbamic acid
CID 87869838
[(2R)-1-oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 89258342
[1-Oxo-1-(2,2,2-trifluoroethylamino)propan-2-yl]carbamic acid
CID 89258343

Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The IUPAC name of [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid (CID 90218211) is [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid.
What is the SMILES notation for [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The canonical SMILES for [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid is O=C(O)NC1(C(=O)NCC(F)F)CC1.
What is the InChIKey of [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid?
The InChIKey is AQFVRMMOORKLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2N2O3/c8-4(9)3-10-5(12)7(1-2-7)11-6(13)14/h4,11H,1-3H2,(H,10,12)(H,13,14).
What are the key properties of [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid?
[1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid has a molecular weight of 208.16 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethylcarbamoyl)cyclopropyl]carbamic acid is sourced from PubChem (CID 90218211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).