[2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine

C9H15F4NO — CID 43428920

IUPAC[2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c10-8(11)9(12,13)5-15-7-3-1-2-6(7)4-14/h6-8H,1-5,14H2
InChIKeyUREKGXBGTSHYCX-UHFFFAOYSA-N
MW229.22 g/mol
LogP2.03
Rot. Bonds5

About [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine

[2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine (PubChem CID 43428920) has the molecular formula C9H15F4NO and a molecular weight of 229.22 g/mol. Its IUPAC name is [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine
PubChem CID43428920
Molecular FormulaC9H15F4NO
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name[2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine
SMILESNCC1CCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C9H15F4NO/c10-8(11)9(12,13)5-15-7-3-1-2-6(7)4-14/h6-8H,1-5,14H2
InChIKeyUREKGXBGTSHYCX-UHFFFAOYSA-N
XLogP2.03
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(2,2,2-Trifluoroethoxy)cyclopentyl]methanamine
CID 43428736
[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
[2-(2-Fluoroethoxy)cyclopentyl]methanamine
CID 80694931
[2-(3-Fluoropropoxy)cyclopentyl]methanamine
CID 81113274
[2-(Difluoromethoxy)cyclopentyl]methanamine
CID 84717030
2-Cyclopentyl-2-(difluoromethoxy)ethanamine
CID 84718113
1-[2-(difluoromethoxy)cyclopentyl]-N-methylmethanamine
CID 84718119

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine?
The IUPAC name of [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine (CID 43428920) is [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine.
What is the SMILES notation for [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine?
The canonical SMILES for [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine is NCC1CCCC1OCC(F)(F)C(F)F.
What is the InChIKey of [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine?
The InChIKey is UREKGXBGTSHYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F4NO/c10-8(11)9(12,13)5-15-7-3-1-2-6(7)4-14/h6-8H,1-5,14H2.
What are the key properties of [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine?
[2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine has a molecular weight of 229.22 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,3,3-tetrafluoropropoxy)cyclopentyl]methanamine is sourced from PubChem (CID 43428920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).