3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine

C11H20FNO — CID 112565585

IUPAC3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESNC1CCC(F)(CC2CCOCC2)C1
InChIInChI=1S/C11H20FNO/c12-11(4-1-10(13)8-11)7-9-2-5-14-6-3-9/h9-10H,1-8,13H2
InChIKeyRLEHFKCDMHXIBQ-UHFFFAOYSA-N
MW201.28 g/mol
LogP2.02
Rot. Bonds2

About 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine

3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine (PubChem CID 112565585) has the molecular formula C11H20FNO and a molecular weight of 201.28 g/mol. Its IUPAC name is 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine
PubChem CID112565585
Molecular FormulaC11H20FNO
Molecular Weight201.28 g/mol
Exact Mass201.15
IUPAC Name3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESNC1CCC(F)(CC2CCOCC2)C1
InChIInChI=1S/C11H20FNO/c12-11(4-1-10(13)8-11)7-9-2-5-14-6-3-9/h9-10H,1-8,13H2
InChIKeyRLEHFKCDMHXIBQ-UHFFFAOYSA-N
XLogP2.02
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.28
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Oxaspiro(4.5)decan-9-amine
CID 64104760
2-[6-Oxaspiro[4.5]decan-9-yl] ethylamine
CID 79920888
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64505524
3,3,3-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 79915034
4,4,4-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)butan-1-amine
CID 79953439
5,5,5-Trifluoro-1-(oxan-4-yl)pentan-2-amine
CID 79953746
1-(6-Oxaspiro[4.5]decan-9-yl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 103147974
1-Cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
CID 103148020
3-(2,2-Difluoroethoxy)-1-(6-oxaspiro[4.5]decan-9-yl)propan-1-amine
CID 103148828
1-Cyclopentyl-4-(2,2-difluoroethoxy)butan-2-amine
CID 103148890
1-Cyclopentyl-3-(2,2-difluoroethoxy)propan-1-amine
CID 103148961
3,3,3-Trifluoro-1-(6-oxaspiro[4.5]decan-9-yl)-2-(trifluoromethyl)propan-1-amine
CID 103312175

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine (CID 112565585) is 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine is NC1CCC(F)(CC2CCOCC2)C1.
What is the InChIKey of 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is RLEHFKCDMHXIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO/c12-11(4-1-10(13)8-11)7-9-2-5-14-6-3-9/h9-10H,1-8,13H2.
What are the key properties of 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine?
3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 201.28 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 112565585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).