(3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone

C12H20F2N2O — CID 116991701

IUPAC(3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)N2CCC(F)(F)C2)CC1
InChIInChI=1S/C12H20F2N2O/c1-15-10-4-2-9(3-5-10)11(17)16-7-6-12(13,14)8-16/h9-10,15H,2-8H2,1H3
InChIKeyCSGJZRANSOQFLO-UHFFFAOYSA-N
MW246.30 g/mol
LogP1.63
Rot. Bonds2

About (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone

(3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone (PubChem CID 116991701) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone
PubChem CID116991701
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone
SMILESCNC1CCC(C(=O)N2CCC(F)(F)C2)CC1
InChIInChI=1S/C12H20F2N2O/c1-15-10-4-2-9(3-5-10)11(17)16-7-6-12(13,14)8-16/h9-10,15H,2-8H2,1H3
InChIKeyCSGJZRANSOQFLO-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-2-amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 9838664
(S)-2-Amino-2-cyclohexyl-1-(3,3-difluoro-pyrrolidin-1-yl)-ethanone
CID 44458617
(S)-2-Amino-2-cyclohexyl-1-((3R,4R)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402967
(S)-2-Amino-2-cyclohexyl-1-(3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402971
(S)-2-Amino-2-cyclohexyl-1-((3S,4S)-3,4-difluoro-pyrrolidin-1-yl)-ethanone
CID 44402970
(4,4-Difluorocyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 67953860
N-[4-(trifluoromethyl)cyclohexyl]cyclohexanecarboxamide
CID 40138363
N-[4-(trifluoromethyl)cyclohexyl]cyclopentanecarboxamide
CID 45868402
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4,4-difluorocyclohexane-1-carboxamide
CID 97328146
rel-(4R,5S)-5-pentyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 639392
2-Amino-2-cyclohexyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone
CID 10354555
2-Amino-2-cyclohexyl-1-(3,3,4,4-tetrafluoropyrrolidin-1-yl)ethanone
CID 22645924

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone (CID 116991701) is (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone is CNC1CCC(C(=O)N2CCC(F)(F)C2)CC1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone?
The InChIKey is CSGJZRANSOQFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-15-10-4-2-9(3-5-10)11(17)16-7-6-12(13,14)8-16/h9-10,15H,2-8H2,1H3.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone has a molecular weight of 246.30 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[4-(methylamino)cyclohexyl]methanone is sourced from PubChem (CID 116991701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).