3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine

C9H16FNO — CID 112565728

IUPAC3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine
SMILESNC1CCC(F)(C2CCOC2)C1
InChIInChI=1S/C9H16FNO/c10-9(3-1-8(11)5-9)7-2-4-12-6-7/h7-8H,1-6,11H2
InChIKeySPXDSEQHJFWFOX-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.24
Rot. Bonds1

About 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine

3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine (PubChem CID 112565728) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine
PubChem CID112565728
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine
SMILESNC1CCC(F)(C2CCOC2)C1
InChIInChI=1S/C9H16FNO/c10-9(3-1-8(11)5-9)7-2-4-12-6-7/h7-8H,1-6,11H2
InChIKeySPXDSEQHJFWFOX-UHFFFAOYSA-N
XLogP1.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-fluoro-8-methoxy-3-methyloctan-4-amine
CID 163716390
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 61491326
3-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64505524
4-Cyclopentyl-4-fluoro-5-methoxypentan-1-amine
CID 103392626
5,5,5-Trifluoro-1-(oxolan-3-yl)pentan-2-amine
CID 103986661
6,6,6-Trifluoro-1-(oxolan-3-yl)hexan-2-amine
CID 103986760
1-Cyclopentyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 104240159
3-Fluoro-3-(oxan-3-yl)cyclopentan-1-amine
CID 107138250
4-Fluoro-4-(oxolan-3-yl)cyclohexan-1-amine
CID 112562416
3-Fluoro-3-(oxolan-3-yl)cyclobutan-1-amine
CID 112564069
3-Fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 112565585
3-Fluoro-3-[3-(oxolan-2-yl)propyl]cyclopentan-1-amine
CID 112565590

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine?
The IUPAC name of 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine (CID 112565728) is 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine.
What is the SMILES notation for 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine?
The canonical SMILES for 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine is NC1CCC(F)(C2CCOC2)C1.
What is the InChIKey of 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine?
The InChIKey is SPXDSEQHJFWFOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-9(3-1-8(11)5-9)7-2-4-12-6-7/h7-8H,1-6,11H2.
What are the key properties of 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine?
3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine has a molecular weight of 173.23 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(oxolan-3-yl)cyclopentan-1-amine is sourced from PubChem (CID 112565728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).