3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine

C10H17ClF3NO — CID 114631990

IUPAC3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
SMILESCC1(C)C(Cl)CC1NCCOCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO/c1-9(2)7(11)5-8(9)15-3-4-16-6-10(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyDNYUQSKCQJTOCX-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.56
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine

3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine (PubChem CID 114631990) has the molecular formula C10H17ClF3NO and a molecular weight of 259.70 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
PubChem CID114631990
Molecular FormulaC10H17ClF3NO
Molecular Weight259.70 g/mol
Exact Mass259.10
IUPAC Name3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
SMILESCC1(C)C(Cl)CC1NCCOCC(F)(F)F
InChIInChI=1S/C10H17ClF3NO/c1-9(2)7(11)5-8(9)15-3-4-16-6-10(12,13)14/h7-8,15H,3-6H2,1-2H3
InChIKeyDNYUQSKCQJTOCX-UHFFFAOYSA-N
XLogP2.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine
CID 64850373
2,2,5,5-tetramethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-amine
CID 79927147
3-chloro-2,2-dimethyl-N-(3-phenoxypropyl)cyclobutan-1-amine
CID 114631848
1-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexane-1,3-diamine
CID 79459074
N-[(E)-but-2-enyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 107897801
1,2,5-trimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-4-amine
CID 55259527
3-[2-(3-methoxypropoxy)ethylamino]-2,2-dimethylcyclobutan-1-ol
CID 103179563
2-(chloromethyl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 106365355
trans-(1S,2S)-2-[2-(2,2,2-trifluoroethoxy)ethylamino]cyclopentan-1-ol
CID 102733487
3-chloro-N-(3-chloro-2-methylprop-2-enyl)-2,2-dimethylcyclobutan-1-amine
CID 106440079
1,1,1-trifluoro-2-[2-[2-(2,2,2-trifluoroethoxy)ethoxy]ethoxy]ethane
CID 87282326
N-[(4-tert-butylphenyl)methyl]-3-chloro-2,2-dimethylcyclobutan-1-amine
CID 114631954

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The IUPAC name of 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine (CID 114631990) is 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine is CC1(C)C(Cl)CC1NCCOCC(F)(F)F.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
The InChIKey is DNYUQSKCQJTOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF3NO/c1-9(2)7(11)5-8(9)15-3-4-16-6-10(12,13)14/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine?
3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine has a molecular weight of 259.70 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclobutan-1-amine is sourced from PubChem (CID 114631990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).