1-cycloheptyl-2-(difluoromethoxy)ethanamine

C10H19F2NO — CID 84722398

IUPAC1-cycloheptyl-2-(difluoromethoxy)ethanamine
SMILESNC(COC(F)F)C1CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)14-7-9(13)8-5-3-1-2-4-6-8/h8-10H,1-7,13H2
InChIKeyKJDCQXNIAPUZNM-UHFFFAOYSA-N
MW207.26 g/mol
LogP2.52
Rot. Bonds4

About 1-cycloheptyl-2-(difluoromethoxy)ethanamine

1-cycloheptyl-2-(difluoromethoxy)ethanamine (PubChem CID 84722398) has the molecular formula C10H19F2NO and a molecular weight of 207.26 g/mol. Its IUPAC name is 1-cycloheptyl-2-(difluoromethoxy)ethanamine.

Molecular Properties

Compound Name1-cycloheptyl-2-(difluoromethoxy)ethanamine
PubChem CID84722398
Molecular FormulaC10H19F2NO
Molecular Weight207.26 g/mol
Exact Mass207.14
IUPAC Name1-cycloheptyl-2-(difluoromethoxy)ethanamine
SMILESNC(COC(F)F)C1CCCCCC1
InChIInChI=1S/C10H19F2NO/c11-10(12)14-7-9(13)8-5-3-1-2-4-6-8/h8-10H,1-7,13H2
InChIKeyKJDCQXNIAPUZNM-UHFFFAOYSA-N
XLogP2.52
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.26
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Fluoro-6-(methoxymethyl)-4-methylcycloheptan-1-amine
CID 155259230
cis-(1R,3S)-5-(1-ethoxyethyl)-3-(trifluoromethyl)cycloheptan-1-amine
CID 166684416
[2-(2,2,2-Trifluoroethoxy)cycloheptyl]methanamine
CID 43428740
2-[2-(2,2,2-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
N-methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]cycloheptan-1-amine
CID 64498320
3-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 64503206
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64503225
1-Cyclopropyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64504401
1-(2,2,2-Trifluoroethoxymethyl)cycloheptan-1-amine
CID 64551698
1-(2,2-Difluoroethoxymethyl)cycloheptan-1-amine
CID 64551901

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-(difluoromethoxy)ethanamine?
The IUPAC name of 1-cycloheptyl-2-(difluoromethoxy)ethanamine (CID 84722398) is 1-cycloheptyl-2-(difluoromethoxy)ethanamine.
What is the SMILES notation for 1-cycloheptyl-2-(difluoromethoxy)ethanamine?
The canonical SMILES for 1-cycloheptyl-2-(difluoromethoxy)ethanamine is NC(COC(F)F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-(difluoromethoxy)ethanamine?
The InChIKey is KJDCQXNIAPUZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2NO/c11-10(12)14-7-9(13)8-5-3-1-2-4-6-8/h8-10H,1-7,13H2.
What are the key properties of 1-cycloheptyl-2-(difluoromethoxy)ethanamine?
1-cycloheptyl-2-(difluoromethoxy)ethanamine has a molecular weight of 207.26 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-(difluoromethoxy)ethanamine is sourced from PubChem (CID 84722398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).