4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine

C11H19F4NO — CID 45283046

IUPAC4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
SMILESCCC1CCC(N)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C11H19F4NO/c1-2-7-3-4-8(16)9(5-7)17-6-11(14,15)10(12)13/h7-10H,2-6,16H2,1H3
InChIKeyNLFBWKNLOFYXNT-UHFFFAOYSA-N
MW257.27 g/mol
LogP2.81
Rot. Bonds5

About 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine

4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine (PubChem CID 45283046) has the molecular formula C11H19F4NO and a molecular weight of 257.27 g/mol. Its IUPAC name is 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
PubChem CID45283046
Molecular FormulaC11H19F4NO
Molecular Weight257.27 g/mol
Exact Mass257.14
IUPAC Name4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine
SMILESCCC1CCC(N)C(OCC(F)(F)C(F)F)C1
InChIInChI=1S/C11H19F4NO/c1-2-7-3-4-8(16)9(5-7)17-6-11(14,15)10(12)13/h7-10H,2-6,16H2,1H3
InChIKeyNLFBWKNLOFYXNT-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

2-(4,4-Difluorocyclohexyl)-2-ethoxyethan-1-amine hydrochloride
CID 155821550
1-Cyclohexyl-4,4-difluoro-5-propan-2-yloxypentan-2-amine
CID 54123882
4-[4-Amino-3-(trifluoromethoxy)cyclohexyl]-2-(trifluoromethoxy)cyclohexan-1-amine
CID 140420304
3-Fluoro-5-(4-methylcyclohexyl)-2-(1,2,2,2-tetrafluoroethoxy)cyclohexan-1-amine
CID 141816132
4-[3-(1,1-Difluoroethoxy)cyclohexyl]-2,6-difluorocyclohexan-1-amine
CID 144304617
2-[3-(1,1-Difluoroethyl)cyclohexyl]oxyethanamine
CID 170263462
2-(2,2,2-Trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
CID 16228798
2-Propoxy-5-(trifluoromethyl)cyclohexanamine
CID 16228799
4-Ethyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16783389
4-Tert-butyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16784604
4-Methyl-2-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 16786580
(1R,2S,5S)-2-(2,2,2-trifluoroethoxy)-5-(trifluoromethyl)cyclohexan-1-amine
CID 28820422

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The IUPAC name of 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine (CID 45283046) is 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The canonical SMILES for 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine is CCC1CCC(N)C(OCC(F)(F)C(F)F)C1.
What is the InChIKey of 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
The InChIKey is NLFBWKNLOFYXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F4NO/c1-2-7-3-4-8(16)9(5-7)17-6-11(14,15)10(12)13/h7-10H,2-6,16H2,1H3.
What are the key properties of 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine?
4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine 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 4-ethyl-2-(2,2,3,3-tetrafluoropropoxy)cyclohexan-1-amine is sourced from PubChem (CID 45283046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).