(4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone

C11H18F2N2O — CID 116991700

IUPAC(4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNC1CCC(C(=O)N2CCC(F)(F)C2)CC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)5-6-15(7-11)10(16)8-1-3-9(14)4-2-8/h8-9H,1-7,14H2
InChIKeyKINHSRSTLIFTSC-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.37
Rot. Bonds1

About (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone

(4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 116991700) has the molecular formula C11H18F2N2O and a molecular weight of 232.27 g/mol. Its IUPAC name is (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID116991700
Molecular FormulaC11H18F2N2O
Molecular Weight232.27 g/mol
Exact Mass232.14
IUPAC Name(4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESNC1CCC(C(=O)N2CCC(F)(F)C2)CC1
InChIInChI=1S/C11H18F2N2O/c12-11(13)5-6-15(7-11)10(16)8-1-3-9(14)4-2-8/h8-9H,1-7,14H2
InChIKeyKINHSRSTLIFTSC-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
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
(2S)-2-amino-2-cyclohexyl-1-(3-fluoropyrrolidin-1-yl)ethanone
CID 10220206
(S)-2-Amino-2-cyclohexyl-1-((S)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458594
(S)-2-Amino-2-cyclohexyl-1-((R)-3-fluoro-pyrrolidin-1-yl)-ethanone
CID 44458603
(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-(2,3,4,5-tetrafluoro-pyrrolidin-1-yl)-ethanone
CID 44402972
(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]cyclopentanecarboxamide
CID 45868402
2-Amino-2-cyclohexyl-1-(3,3-difluoropyrrolidin-1-yl)ethanone
CID 10354555

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone (CID 116991700) is (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone is NC1CCC(C(=O)N2CCC(F)(F)C2)CC1.
What is the InChIKey of (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is KINHSRSTLIFTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2O/c12-11(13)5-6-15(7-11)10(16)8-1-3-9(14)4-2-8/h8-9H,1-7,14H2.
What are the key properties of (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
(4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 232.27 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 116991700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).