[2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine

C10H18F3NO — CID 43428740

IUPAC[2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
SMILESNCC1CCCCCC1OCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-15-9-5-3-1-2-4-8(9)6-14/h8-9H,1-7,14H2
InChIKeyUMNAWVKSGWSFTF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds3

About [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine

[2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine (PubChem CID 43428740) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine.

Molecular Properties

Compound Name[2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
PubChem CID43428740
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine
SMILESNCC1CCCCCC1OCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)7-15-9-5-3-1-2-4-8(9)6-14/h8-9H,1-7,14H2
InChIKeyUMNAWVKSGWSFTF-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
[2-(2,2,2-Trifluoroethoxy)cyclohexyl]methanamine
CID 43428741
[2-(2,2,3,3-Tetrafluoropropoxy)cycloheptyl]methanamine
CID 43428923
[2-(2,2,3,3-Tetrafluoropropoxy)cyclohexyl]methanamine
CID 43428924
3-(2-Ethylcyclohexyl)oxy-4,4,4-trifluorobutan-1-amine
CID 43753306
3-(2-Ethylhexoxy)-4,4,4-trifluorobutan-1-amine
CID 43753333
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

Frequently Asked Questions

What is the IUPAC name of [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
The IUPAC name of [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine (CID 43428740) is [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine.
What is the SMILES notation for [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
The canonical SMILES for [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine is NCC1CCCCCC1OCC(F)(F)F.
What is the InChIKey of [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
The InChIKey is UMNAWVKSGWSFTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)7-15-9-5-3-1-2-4-8(9)6-14/h8-9H,1-7,14H2.
What are the key properties of [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine?
[2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,2,2-trifluoroethoxy)cycloheptyl]methanamine is sourced from PubChem (CID 43428740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).