3-cyclopentyl-3-(difluoromethoxy)propan-1-amine

C9H17F2NO — CID 84720005

IUPAC3-cyclopentyl-3-(difluoromethoxy)propan-1-amine
SMILESNCCC(OC(F)F)C1CCCC1
InChIInChI=1S/C9H17F2NO/c10-9(11)13-8(5-6-12)7-3-1-2-4-7/h7-9H,1-6,12H2
InChIKeyQJWNOQGJFYAZGU-UHFFFAOYSA-N
MW193.24 g/mol
LogP2.13
Rot. Bonds5

About 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine

3-cyclopentyl-3-(difluoromethoxy)propan-1-amine (PubChem CID 84720005) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-3-(difluoromethoxy)propan-1-amine
PubChem CID84720005
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name3-cyclopentyl-3-(difluoromethoxy)propan-1-amine
SMILESNCCC(OC(F)F)C1CCCC1
InChIInChI=1S/C9H17F2NO/c10-9(11)13-8(5-6-12)7-3-1-2-4-7/h7-9H,1-6,12H2
InChIKeyQJWNOQGJFYAZGU-UHFFFAOYSA-N
XLogP2.13
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Cyclopentyl-3-ethoxypropan-1-amine
CID 72125032
[2-(2,2,2-Trifluoroethoxy)cyclopentyl]methanamine
CID 43428736
[2-(2,2,2-Trifluoroethoxy)cycloheptyl]methanamine
CID 43428740
[2-(2,2,3,3-Tetrafluoropropoxy)cyclopentyl]methanamine
CID 43428920
[2-(2,2,3,3-Tetrafluoropropoxy)cycloheptyl]methanamine
CID 43428923
3-(2-Ethylhexoxy)-4,4,4-trifluorobutan-1-amine
CID 43753333
[2-[2-(Trifluoromethoxy)ethoxy]cyclopentyl]methanamine
CID 65835831
[2-(2,2-Difluoroethoxy)cyclopentyl]methanamine
CID 65836434
[2-[3-(2,2,2-Trifluoroethoxy)propoxy]cyclopentyl]methanamine
CID 65836444
[2-[2-(2,2,2-Trifluoroethoxy)ethoxy]cyclopentyl]methanamine
CID 65838481
[2-(3,3,3-Trifluoropropoxy)cyclopentyl]methanamine
CID 65838681
3-(Cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine
CID 66322383

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine?
The IUPAC name of 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine (CID 84720005) is 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine is NCCC(OC(F)F)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine?
The InChIKey is QJWNOQGJFYAZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c10-9(11)13-8(5-6-12)7-3-1-2-4-7/h7-9H,1-6,12H2.
What are the key properties of 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine?
3-cyclopentyl-3-(difluoromethoxy)propan-1-amine has a molecular weight of 193.24 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-3-(difluoromethoxy)propan-1-amine is sourced from PubChem (CID 84720005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).