3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol

C13H23F2NO — CID 114224003

IUPAC3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCC2CCCC(F)(F)C2)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)5-1-2-11(7-13)9-16-8-10-3-4-12(17)6-10/h10-12,16-17H,1-9H2
InChIKeyMNLJOHKBLMTPRJ-UHFFFAOYSA-N
MW247.33 g/mol
LogP2.56
Rot. Bonds4

About 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol

3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol (PubChem CID 114224003) has the molecular formula C13H23F2NO and a molecular weight of 247.33 g/mol. Its IUPAC name is 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol
PubChem CID114224003
Molecular FormulaC13H23F2NO
Molecular Weight247.33 g/mol
Exact Mass247.17
IUPAC Name3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol
SMILESOC1CCC(CNCC2CCCC(F)(F)C2)C1
InChIInChI=1S/C13H23F2NO/c14-13(15)5-1-2-11(7-13)9-16-8-10-3-4-12(17)6-10/h10-12,16-17H,1-9H2
InChIKeyMNLJOHKBLMTPRJ-UHFFFAOYSA-N
XLogP2.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.33
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
3-[(2-methylpropylamino)methyl]cyclopentan-1-ol
CID 103270977
1-(3,3-difluorocyclohexyl)-N-[(2-methyloxolan-3-yl)methyl]methanamine
CID 114223968
2-[(3,3-difluorocyclohexyl)methylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 114223959
N-[(3,3-difluorocyclohexyl)methyl]-N',N'-diethylpropane-1,3-diamine
CID 114223711
2-[(3,3-difluorocyclohexyl)methylamino]-N,N-diethylacetamide
CID 114223910
5-[[(3,3-difluorocyclohexyl)methylamino]methyl]pyrrolidin-2-one
CID 114223835
N-[(3,3-difluorocyclohexyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 114223863
3-[(2-cyclohexylethylamino)methyl]cyclopentan-1-ol
CID 103529231
5-[(3,3-difluorocyclohexyl)methylamino]-4,4-dimethylpentan-1-ol
CID 114224006
3-[(piperidin-4-ylmethylamino)methyl]cyclopentan-1-ol
CID 106120847
3-[(pyrrolidin-2-ylmethylamino)methyl]cyclopentan-1-ol
CID 106120820

Frequently Asked Questions

What is the IUPAC name of 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol?
The IUPAC name of 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol (CID 114224003) is 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol.
What is the SMILES notation for 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol?
The canonical SMILES for 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol is OC1CCC(CNCC2CCCC(F)(F)C2)C1.
What is the InChIKey of 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol?
The InChIKey is MNLJOHKBLMTPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F2NO/c14-13(15)5-1-2-11(7-13)9-16-8-10-3-4-12(17)6-10/h10-12,16-17H,1-9H2.
What are the key properties of 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol?
3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol has a molecular weight of 247.33 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3,3-difluorocyclohexyl)methylamino]methyl]cyclopentan-1-ol is sourced from PubChem (CID 114224003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).