N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine

C8H14F3NO — CID 79642764

IUPACN-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
SMILESCNC1CCC(OCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-6-2-3-7(4-6)13-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyLXRQHHFNDISGNI-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.71
Rot. Bonds3

About N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine

N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine (PubChem CID 79642764) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
PubChem CID79642764
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine
SMILESCNC1CCC(OCC(F)(F)F)C1
InChIInChI=1S/C8H14F3NO/c1-12-6-2-3-7(4-6)13-5-8(9,10)11/h6-7,12H,2-5H2,1H3
InChIKeyLXRQHHFNDISGNI-UHFFFAOYSA-N
XLogP1.71
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Difluoromethoxy)cyclopentan-1-amine
CID 84716444
3-(Trifluoromethoxy)cyclopentan-1-amine
CID 131003819
(1R,3R)-3-(2,2-difluoroethoxy)cyclopentan-1-amine
CID 139529938
Rel-(1R,3R)-3-methoxy-N-methylcyclopentan-1-amine
CID 155820152
1-fluoro-3-methoxy-N-methylcyclopentan-1-amine
CID 156328756
trans-(1S,3S)-3-(trifluoromethoxy)cyclopentan-1-amine
CID 168477156
N-propan-2-yl-4-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62446165
N-methyl-4-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 64706451
N-methyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 66274578
N-propan-2-yl-4-(1,1,1-trifluoropropan-2-yloxy)pentan-1-amine
CID 66274667
N-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-2-amine
CID 66275873
N-[3-(1,1,1-trifluoropropan-2-yloxy)propyl]cyclopentanamine
CID 66276202

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine?
The IUPAC name of N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine (CID 79642764) is N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine.
What is the SMILES notation for N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine?
The canonical SMILES for N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine is CNC1CCC(OCC(F)(F)F)C1.
What is the InChIKey of N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine?
The InChIKey is LXRQHHFNDISGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-12-6-2-3-7(4-6)13-5-8(9,10)11/h6-7,12H,2-5H2,1H3.
What are the key properties of N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine?
N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2,2,2-trifluoroethoxy)cyclopentan-1-amine is sourced from PubChem (CID 79642764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).