3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile

C11H16F2N2 — CID 167923176

IUPAC3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NCC2CC(F)(F)C2)C1
InChIInChI=1S/C11H16F2N2/c12-11(13)4-9(5-11)7-15-10-2-1-8(3-10)6-14/h8-10,15H,1-5,7H2
InChIKeyPPVNSKSOGCSLKD-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.31
Rot. Bonds3

About 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile

3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile (PubChem CID 167923176) has the molecular formula C11H16F2N2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile
PubChem CID167923176
Molecular FormulaC11H16F2N2
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile
SMILESN#CC1CCC(NCC2CC(F)(F)C2)C1
InChIInChI=1S/C11H16F2N2/c12-11(13)4-9(5-11)7-15-10-2-1-8(3-10)6-14/h8-10,15H,1-5,7H2
InChIKeyPPVNSKSOGCSLKD-UHFFFAOYSA-N
XLogP2.31
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile?
The IUPAC name of 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile (CID 167923176) is 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile?
The canonical SMILES for 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile is N#CC1CCC(NCC2CC(F)(F)C2)C1.
What is the InChIKey of 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile?
The InChIKey is PPVNSKSOGCSLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2/c12-11(13)4-9(5-11)7-15-10-2-1-8(3-10)6-14/h8-10,15H,1-5,7H2.
What are the key properties of 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile?
3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile has a molecular weight of 214.26 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclobutyl)methylamino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 167923176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).