3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine

C10H17F2N — CID 130487658

IUPAC3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine
SMILESCC1(CC2CCC(F)(F)C2)CNC1
InChIInChI=1S/C10H17F2N/c1-9(6-13-7-9)4-8-2-3-10(11,12)5-8/h8,13H,2-7H2,1H3
InChIKeyYXIVULUEXWUATC-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.42
Rot. Bonds2

About 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine

3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine (PubChem CID 130487658) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine.

Molecular Properties

Compound Name3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine
PubChem CID130487658
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine
SMILESCC1(CC2CCC(F)(F)C2)CNC1
InChIInChI=1S/C10H17F2N/c1-9(6-13-7-9)4-8-2-3-10(11,12)5-8/h8,13H,2-7H2,1H3
InChIKeyYXIVULUEXWUATC-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(3,3-difluorocyclohexyl)methyl]azetidin-3-ol
CID 130487410
1-[(3,3-difluorocyclopentyl)methyl]-2,2-dimethylcyclohexan-1-ol
CID 114224505
1-[(3,3-difluorocyclopentyl)methyl]-3,3-dimethylcyclohexan-1-ol
CID 114224490
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
1-(3,3-difluorocyclopentyl)-2-methylpropan-2-ol
CID 130487394
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclopentane
CID 130487711
2-(3,3-difluorocyclopentyl)ethanol
CID 58879048
3-methyl-3-[(5-methyloxolan-2-yl)methyl]azetidine
CID 103142930
O-[(3,3-difluorocyclopentyl)methyl]hydroxylamine
CID 126974531
1-(3,3-difluorocyclopentyl)-3-methylbutan-2-one
CID 126974544
3-(3-chloro-2,2-dimethylpropyl)-1,1-difluorocyclopentane
CID 130487636
4-[(1-methylcyclopropyl)methyl]piperidine
CID 67123007

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine?
The IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine (CID 130487658) is 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine.
What is the SMILES notation for 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine?
The canonical SMILES for 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine is CC1(CC2CCC(F)(F)C2)CNC1.
What is the InChIKey of 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine?
The InChIKey is YXIVULUEXWUATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-9(6-13-7-9)4-8-2-3-10(11,12)5-8/h8,13H,2-7H2,1H3.
What are the key properties of 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine?
3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine has a molecular weight of 189.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclopentyl)methyl]-3-methylazetidine is sourced from PubChem (CID 130487658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).