N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine

C9H15ClF3NO — CID 102861416

IUPACN-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine
SMILESFC(F)(F)OCCN(CCCl)C1CCC1
InChIInChI=1S/C9H15ClF3NO/c10-4-5-14(8-2-1-3-8)6-7-15-9(11,12)13/h8H,1-7H2
InChIKeyMPANEMMSZQXTHR-UHFFFAOYSA-N
MW245.67 g/mol
LogP2.62
Rot. Bonds6

About N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine

N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine (PubChem CID 102861416) has the molecular formula C9H15ClF3NO and a molecular weight of 245.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine
PubChem CID102861416
Molecular FormulaC9H15ClF3NO
Molecular Weight245.67 g/mol
Exact Mass245.08
IUPAC NameN-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine
SMILESFC(F)(F)OCCN(CCCl)C1CCC1
InChIInChI=1S/C9H15ClF3NO/c10-4-5-14(8-2-1-3-8)6-7-15-9(11,12)13/h8H,1-7H2
InChIKeyMPANEMMSZQXTHR-UHFFFAOYSA-N
XLogP2.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.67
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N-bis(2-chloroethyl)cyclooctanamine
CID 11075940
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)cycloheptanamine
CID 107489081
4-N-ethyl-4-N-[2-(trifluoromethoxy)ethyl]cyclohexane-1,4-diamine
CID 79115353
N-(2-chloroethyl)-N-(4,4,4-trifluorobutyl)cyclohexanamine
CID 115518352
N-(2-butoxyethyl)-N-(2-chloroethyl)cyclohexanamine
CID 63386914
N-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-N-(2-chloroethyl)cyclopropanamine
CID 104567115
N-(2-chloroethyl)-N-(3-methoxypropyl)cyclopropanamine
CID 63387922
N-(3-chloropropyl)-N-(2-propoxyethyl)cyclobutanamine
CID 106457906
N'-cyclohexyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethane-1,2-diamine
CID 112591848
N-(2-chloroethyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropanamine
CID 63387590
N-[2-(2-chloroethoxy)ethyl]-N-ethylcyclohexanamine
CID 63665894
N-(2-chloroethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
CID 107913597

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine?
The IUPAC name of N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine (CID 102861416) is N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine.
What is the SMILES notation for N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine?
The canonical SMILES for N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine is FC(F)(F)OCCN(CCCl)C1CCC1.
What is the InChIKey of N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine?
The InChIKey is MPANEMMSZQXTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO/c10-4-5-14(8-2-1-3-8)6-7-15-9(11,12)13/h8H,1-7H2.
What are the key properties of N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine?
N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine has a molecular weight of 245.67 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-[2-(trifluoromethoxy)ethyl]cyclobutanamine is sourced from PubChem (CID 102861416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).