1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

C11H20F3NO — CID 103148020

IUPAC1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)8-16-6-5-10(15)7-9-3-1-2-4-9/h9-10H,1-8,15H2
InChIKeyPPWPCTBUQRIDMI-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds6

About 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine

1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 103148020) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID103148020
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESNC(CCOCC(F)(F)F)CC1CCCC1
InChIInChI=1S/C11H20F3NO/c12-11(13,14)8-16-6-5-10(15)7-9-3-1-2-4-9/h9-10H,1-8,15H2
InChIKeyPPWPCTBUQRIDMI-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1-Difluoro-6-oxaspiro[4.5]decan-9-amine hydrochloride
CID 169785543
4,4-Difluoro-6-oxaspiro[4.5]decan-9-amine
CID 168891874
1-cyclopentyl-N-ethyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55094981
1-Cyclohexyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55095682
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61490290
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 61490905
2-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 61491326
2-[2-(2,2,2-Trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 61748888
4-Methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 63559791
3-[3-(2,2,2-Trifluoroethoxy)propyl]cycloheptan-1-amine
CID 64503206
2-Methyl-8-(2,2,2-trifluoroethoxy)octan-3-amine
CID 64503225
1-Cyclopropyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64504401

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine (CID 103148020) is 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is NC(CCOCC(F)(F)F)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is PPWPCTBUQRIDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c12-11(13,14)8-16-6-5-10(15)7-9-3-1-2-4-9/h9-10H,1-8,15H2.
What are the key properties of 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine?
1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 103148020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).