N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine

C10H18F3NO — CID 106705900

IUPACN-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-8(5-14-9-3-4-9)6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyLRACDGJZOMGMBD-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds7

About N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine

N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine (PubChem CID 106705900) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine
PubChem CID106705900
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine
SMILESCCC(CNC1CC1)COCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-2-8(5-14-9-3-4-9)6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3
InChIKeyLRACDGJZOMGMBD-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-[(2-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
CID 106705961
N-[2-[(3-chlorophenyl)methyl]-3-(2,2,2-trifluoroethoxy)propyl]cyclopropanamine
CID 106705939
2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106705854
1-N,2-N-dicyclopropyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 55073819
N-[3-(2-ethylhexoxy)-2,2-dimethylpropyl]cyclopropanamine
CID 79626833
N-(2-ethylbutyl)-4-propylcyclohexan-1-amine
CID 63455341
N-[2-ethyl-4-(3-methylbutoxy)butyl]cyclopropanamine
CID 62514503
4-(2,2,2-trifluoroethoxymethyl)heptane
CID 139669708
N-[2-(trimethylsilylmethyl)butyl]cyclopropanamine
CID 106323165
N-(2-ethylhexyl)cyclopropanamine
CID 43163806
N-(2-tert-butyl-3-methylpentyl)cyclopropanamine
CID 83138542
N-(2-butan-2-yloxypropyl)cyclopropanamine
CID 62453628

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine?
The IUPAC name of N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine (CID 106705900) is N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine is CCC(CNC1CC1)COCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine?
The InChIKey is LRACDGJZOMGMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-2-8(5-14-9-3-4-9)6-15-7-10(11,12)13/h8-9,14H,2-7H2,1H3.
What are the key properties of N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine?
N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethoxymethyl)butyl]cyclopropanamine is sourced from PubChem (CID 106705900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).