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

C11H19F4NO — CID 43428923

IUPAC[2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine
SMILESNCC1CCCCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c12-10(13)11(14,15)7-17-9-5-3-1-2-4-8(9)6-16/h8-10H,1-7,16H2
InChIKeyXFQOLYAFHHZUJG-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.81
Rot. Bonds5

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

[2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine (PubChem CID 43428923) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is [2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine
PubChem CID43428923
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC Name[2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine
SMILESNCC1CCCCCC1OCC(F)(F)C(F)F
InChIInChI=1S/C11H19F4NO/c12-10(13)11(14,15)7-17-9-5-3-1-2-4-8(9)6-16/h8-10H,1-7,16H2
InChIKeyXFQOLYAFHHZUJG-UHFFFAOYSA-N
XLogP2.81
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 52.81
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

cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
[2-(2,2,2-Trifluoroethoxy)cycloheptyl]methanamine
CID 43428740
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748888
2-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 61748889
[1-(2,2,2-Trifluoroethoxy)cycloheptyl]methanamine
CID 62111417
3-(Cyclohexylmethoxy)-4,4,4-trifluorobutan-1-amine
CID 62383874
3-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 64503206
[1-(2,2-Difluoroethoxy)cycloheptyl]methanamine
CID 65051697
[1-(3,3,3-Trifluoropropoxy)cycloheptyl]methanamine
CID 65051906
[2-(3,3,3-Trifluoropropoxy)cyclohexyl]methanamine
CID 65836678

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine?
The IUPAC name of [2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine (CID 43428923) is [2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine.
What is the SMILES notation for [2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine?
The canonical SMILES for [2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine is NCC1CCCCCC1OCC(F)(F)C(F)F.
What is the InChIKey of [2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine?
The InChIKey is XFQOLYAFHHZUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c12-10(13)11(14,15)7-17-9-5-3-1-2-4-8(9)6-16/h8-10H,1-7,16H2.
What are the key properties of [2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine?
[2-(2,2,3,3-tetrafluoropropoxy)cycloheptyl]methanamine has a molecular weight of 257.27 g/mol, XLogP of 2.81, 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)cycloheptyl]methanamine is sourced from PubChem (CID 43428923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).