1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

C11H18F2N2O3 — CID 113309793

IUPAC1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC(F)F)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H18F2N2O3/c12-8(13)6-14-10(18)15-7-11(9(16)17)4-2-1-3-5-11/h8H,1-7H2,(H,16,17)(H2,14,15,18)
InChIKeyUVYWGYNUHWWPGL-UHFFFAOYSA-N
MW264.27 g/mol
LogP1.59
Rot. Bonds5

About 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid

1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (PubChem CID 113309793) has the molecular formula C11H18F2N2O3 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
PubChem CID113309793
Molecular FormulaC11H18F2N2O3
Molecular Weight264.27 g/mol
Exact Mass264.13
IUPAC Name1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
SMILESO=C(NCC(F)F)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C11H18F2N2O3/c12-8(13)6-14-10(18)15-7-11(9(16)17)4-2-1-3-5-11/h8H,1-7H2,(H,16,17)(H2,14,15,18)
InChIKeyUVYWGYNUHWWPGL-UHFFFAOYSA-N
XLogP1.59
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-2-[(methylcarbamoylamino)methyl]decanoic acid
CID 23326911
8-[(4,4-Dimethylcyclohexyl)carbamoylamino]-2-fluorooctanoic acid
CID 44131757
2-Fluoro-8-(spiro[4.5]decan-8-ylcarbamoylamino)octanoic acid
CID 44131923
1-[(Hydrazinecarbonylamino)methyl]cyclohexane-1-carboxylic acid;2,2,2-trifluoroacetic acid
CID 68891632
3-(3,3,3-Trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 55175732
2-[1-[(2,2,2-Trifluoroethylcarbamoylamino)methyl]cyclohexyl]acetic acid
CID 61659928
2-[1-[[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]methyl]cyclohexyl]acetic acid
CID 61660070
2-[1-[(3,3,3-Trifluoropropylcarbamoylamino)methyl]cyclohexyl]acetic acid
CID 63227864
1-(3,3,3-Trifluoropropylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 63228044
4-[2-(2,2,2-Trifluoroethylcarbamoylamino)ethyl]heptanoic acid
CID 64345950
4-[2-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]ethyl]heptanoic acid
CID 64346541
4-[2-(3,3,3-Trifluoropropylcarbamoylamino)ethyl]heptanoic acid
CID 64347725

Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid (CID 113309793) is 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is O=C(NCC(F)F)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
The InChIKey is UVYWGYNUHWWPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O3/c12-8(13)6-14-10(18)15-7-11(9(16)17)4-2-1-3-5-11/h8H,1-7H2,(H,16,17)(H2,14,15,18).
What are the key properties of 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid?
1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid has a molecular weight of 264.27 g/mol, XLogP of 1.59, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-difluoroethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 113309793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).