[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone

C11H18F2N2O — CID 153329654

IUPAC[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone
SMILESN[C@@H]1CN(C(=O)C2CCC(F)CC2)CC1F
InChIInChI=1S/C11H18F2N2O/c12-8-3-1-7(2-4-8)11(16)15-5-9(13)10(14)6-15/h7-10H,1-6,14H2/t7?,8?,9?,10-/m1/s1
InChIKeyZLGDAUYJXZVGCR-SYZWKDNESA-N
MW232.27 g/mol
LogP1.02
Rot. Bonds1

About [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone

[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone (PubChem CID 153329654) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone.

Molecular Properties

Compound Name[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone
PubChem CID153329654
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone
SMILESN[C@@H]1CN(C(=O)C2CCC(F)CC2)CC1F
InChIInChI=1S/C11H18F2N2O/c12-8-3-1-7(2-4-8)11(16)15-5-9(13)10(14)6-15/h7-10H,1-6,14H2/t7?,8?,9?,10-/m1/s1
InChIKeyZLGDAUYJXZVGCR-SYZWKDNESA-N
XLogP1.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorocyclohexyl)-[(3S,4R)-3-fluoro-4-(iodoamino)pyrrolidin-1-yl]methanone
CID 170075717
[(3R,4S)-3-amino-4-fluoropyrrolidin-1-yl]-(2,2-difluorocyclopropyl)methanone
CID 170075818
(3,4-diaminopyrrolidin-1-yl)-(1-methylpiperidin-4-yl)methanone
CID 90427686
(3-amino-4-ethylpiperidin-1-yl)-cyclopropylmethanone
CID 165441018
4-amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
(4-aminopiperidin-1-yl)-cyclobutylmethanone
CID 16777962
[(1R,3S)-3-aminocyclohexyl]-(4-fluoropiperidin-1-yl)methanone;hydrochloride
CID 154910496
[(1S,5R)-3-azabicyclo[3.2.1]octan-3-yl]-cyclopropylmethanone
CID 58488078
(4-aminocyclohexyl)-(4-hydroxypiperidin-1-yl)methanone
CID 20754665
1-[4-(4-aminocyclohexanecarbonyl)piperazin-1-yl]ethanone
CID 60894221
(6-amino-3-azabicyclo[3.1.0]hexan-3-yl)-cyclohexylmethanone
CID 69121814
[(3R,4S)-3-amino-4-phenylpyrrolidin-1-yl]-(4-hydroxycyclohexyl)methanone
CID 72875520

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone?
The IUPAC name of [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone (CID 153329654) is [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone.
What is the SMILES notation for [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone?
The canonical SMILES for [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone is N[C@@H]1CN(C(=O)C2CCC(F)CC2)CC1F.
What is the InChIKey of [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone?
The InChIKey is ZLGDAUYJXZVGCR-SYZWKDNESA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-8-3-1-7(2-4-8)11(16)15-5-9(13)10(14)6-15/h7-10H,1-6,14H2/t7?,8?,9?,10-/m1/s1.
What are the key properties of [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone?
[(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone has a molecular weight of 232.27 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-amino-4-fluoropyrrolidin-1-yl]-(4-fluorocyclohexyl)methanone is sourced from PubChem (CID 153329654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).