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

C11H17F2NO2 — CID 116991750

IUPAC(3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone
SMILESO=C(C1CCC(O)CC1)N1CCC(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-6-14(7-11)10(16)8-1-3-9(15)4-2-8/h8-9,15H,1-7H2
InChIKeyCZHWOJKTNYHMIU-UHFFFAOYSA-N
MW233.26 g/mol
LogP1.41
Rot. Bonds1

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

(3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone (PubChem CID 116991750) has the molecular formula C11H17F2NO2 and a molecular weight of 233.26 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone
PubChem CID116991750
Molecular FormulaC11H17F2NO2
Molecular Weight233.26 g/mol
Exact Mass233.12
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone
SMILESO=C(C1CCC(O)CC1)N1CCC(F)(F)C1
InChIInChI=1S/C11H17F2NO2/c12-11(13)5-6-14(7-11)10(16)8-1-3-9(15)4-2-8/h8-9,15H,1-7H2
InChIKeyCZHWOJKTNYHMIU-UHFFFAOYSA-N
XLogP1.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-1-{[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}pyrrolidin-2-yl]methanol
CID 66960649
[(2S)-1-{[trans-4-(trifluoromethyl)cyclohexyl]carbonyl}pyrrolidin-2-yl]methanol
CID 66962034
1-[(3S)-3-fluoropyrrolidin-1-yl]-2-(4-hydroxycyclohexyl)ethanone
CID 174506614
[2-(Hydroxymethyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 77211822
[2-(2-Hydroxypropyl)pyrrolidin-1-yl]-[4-(trifluoromethyl)cyclohexyl]methanone
CID 81929024
(4,4-Difluorocyclohexyl)-[2-(2-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81932627
(4,4-difluorocyclohexyl)-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81932645
(4,4-Difluorocyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81932696
(4,4-difluorocyclohexyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 81932702
(4,4-Difluorocyclohexyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 81932734
[(2R)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 99700835
[(2S)-2-[(1S)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]-[(1R,3S)-3-(trifluoromethyl)cyclohexyl]methanone
CID 100634077

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone (CID 116991750) is (3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone is O=C(C1CCC(O)CC1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone?
The InChIKey is CZHWOJKTNYHMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2NO2/c12-11(13)5-6-14(7-11)10(16)8-1-3-9(15)4-2-8/h8-9,15H,1-7H2.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone?
(3,3-difluoropyrrolidin-1-yl)-(4-hydroxycyclohexyl)methanone has a molecular weight of 233.26 g/mol, XLogP of 1.41, 1 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-hydroxycyclohexyl)methanone is sourced from PubChem (CID 116991750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).