1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

C12H22F3NO — CID 103148108

IUPAC1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)9-17-8-7-11(16)10-5-3-1-2-4-6-10/h10-11H,1-9,16H2
InChIKeyGBAKTPRVNAFKTO-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds5

About 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine

1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (PubChem CID 103148108) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.

Molecular Properties

Compound Name1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
PubChem CID103148108
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
SMILESNC(CCOCC(F)(F)F)C1CCCCCC1
InChIInChI=1S/C12H22F3NO/c13-12(14,15)9-17-8-7-11(16)10-5-3-1-2-4-6-10/h10-11H,1-9,16H2
InChIKeyGBAKTPRVNAFKTO-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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-(2,2,3,3-Tetrafluoropropoxy)cycloheptyl]methanamine
CID 43428923
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
2-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491063
N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748692
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748888
2-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 61748889
N-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749685
N-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61749886

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The IUPAC name of 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine (CID 103148108) is 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine.
What is the SMILES notation for 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The canonical SMILES for 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is NC(CCOCC(F)(F)F)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
The InChIKey is GBAKTPRVNAFKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c13-12(14,15)9-17-8-7-11(16)10-5-3-1-2-4-6-10/h10-11H,1-9,16H2.
What are the key properties of 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine?
1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-(2,2,2-trifluoroethoxy)propan-1-amine is sourced from PubChem (CID 103148108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).