(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone

C11H16F3NO — CID 128592492

IUPAC(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC(F)C1
InChIInChI=1S/C11H16F3NO/c12-9-3-6-15(7-9)10(16)8-1-4-11(13,14)5-2-8/h8-9H,1-7H2
InChIKeyLGLDRWRGPZSWBR-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.38
Rot. Bonds1

About (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone

(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone (PubChem CID 128592492) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone
PubChem CID128592492
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone
SMILESO=C(C1CCC(F)(F)CC1)N1CCC(F)C1
InChIInChI=1S/C11H16F3NO/c12-9-3-6-15(7-9)10(16)8-1-4-11(13,14)5-2-8/h8-9H,1-7H2
InChIKeyLGLDRWRGPZSWBR-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone (CID 128592492) is (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone is O=C(C1CCC(F)(F)CC1)N1CCC(F)C1.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone?
The InChIKey is LGLDRWRGPZSWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c12-9-3-6-15(7-9)10(16)8-1-4-11(13,14)5-2-8/h8-9H,1-7H2.
What are the key properties of (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone?
(4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone has a molecular weight of 235.25 g/mol, XLogP of 2.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 128592492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).