1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid

C11H17F3N2O3 — CID 16794916

IUPAC1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-9(19)16-10(8(17)18)5-3-1-2-4-6-10/h1-7H2,(H,17,18)(H2,15,16,19)
InChIKeyDYQFZNOUFNJKFI-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.03
Rot. Bonds3

About 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid

1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid (PubChem CID 16794916) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid
PubChem CID16794916
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid
SMILESO=C(NCC(F)(F)F)NC1(C(=O)O)CCCCCC1
InChIInChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-9(19)16-10(8(17)18)5-3-1-2-4-6-10/h1-7H2,(H,17,18)(H2,15,16,19)
InChIKeyDYQFZNOUFNJKFI-UHFFFAOYSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Carbamoylamino)-2-[4-(trifluoromethyl)cyclohexyl]acetic acid
CID 162362208
1-[2-Oxo-4-(trifluoromethyl)imidazolidin-1-yl]cyclooctane-1-carboxylic acid
CID 174178910
4-Methyl-1-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16784083
2-Methyl-1-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16785408
1-(2,2,2-Trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 16788400
1-(2,2,2-Trifluoroethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 16794178
1-(2,2,2-Trifluoroethylamino)cyclododecane-1-carboxylic acid
CID 60998836
1-(2,2,2-Trifluoroethylamino)cycloheptane-1-carboxylic acid
CID 60998837
2-Cyclohexyl-2-(2,2,2-trifluoroethylcarbamoylamino)acetic acid
CID 61183620
4-Ethyl-1-(2,2,2-trifluoroethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 61183971
1-[[Methyl(2,2,2-trifluoroethyl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61204771
2-Cyclohexyl-2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetic acid
CID 61204967

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid (CID 16794916) is 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid is O=C(NCC(F)(F)F)NC1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid?
The InChIKey is DYQFZNOUFNJKFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c12-11(13,14)7-15-9(19)16-10(8(17)18)5-3-1-2-4-6-10/h1-7H2,(H,17,18)(H2,15,16,19).
What are the key properties of 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid?
1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid has a molecular weight of 282.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylcarbamoylamino)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 16794916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).