3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol

C9H16F3NO2 — CID 106939967

IUPAC3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol
SMILESNC1(COCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7(14)5-15-6-8(13)3-1-2-4-8/h7,14H,1-6,13H2
InChIKeyDUZJPOUFERFBIW-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.20
Rot. Bonds4

About 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol

3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol (PubChem CID 106939967) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol
PubChem CID106939967
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol
SMILESNC1(COCC(O)C(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO2/c10-9(11,12)7(14)5-15-6-8(13)3-1-2-4-8/h7,14H,1-6,13H2
InChIKeyDUZJPOUFERFBIW-UHFFFAOYSA-N
XLogP1.20
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine
CID 64572036
3-[1-(Aminomethyl)cyclopentyl]oxy-1,1,1-trifluoropropan-2-ol
CID 65050494
1-[2-(Trifluoromethoxy)ethoxymethyl]cyclopentan-1-amine
CID 65804570
3-[(1-Aminocyclohexyl)methoxy]-1,1,1-trifluoropropan-2-ol
CID 106940010
3-[(1-Aminocycloheptyl)methoxy]-1,1,1-trifluoropropan-2-ol
CID 106940139
2-[(1-Aminocyclopentyl)methoxy]ethanol
CID 106938221
2-[2-[(1-Aminocyclopentyl)methoxy]ethoxy]ethanol
CID 106938222
3-[(1-Aminocyclopentyl)methoxy]propane-1,2-diol
CID 106938227
1-[(1-Aminocyclopentyl)methoxy]propan-2-ol
CID 106938242
2-[(1-Aminocyclopentyl)methoxy]cyclohexan-1-ol
CID 106939949
1-[(1-Aminocyclopentyl)methoxy]butan-2-ol
CID 106939956
3-[(1-Aminocyclopentyl)methoxy]butan-2-ol
CID 106939959

Frequently Asked Questions

What is the IUPAC name of 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol (CID 106939967) is 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol is NC1(COCC(O)C(F)(F)F)CCCC1.
What is the InChIKey of 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol?
The InChIKey is DUZJPOUFERFBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c10-9(11,12)7(14)5-15-6-8(13)3-1-2-4-8/h7,14H,1-6,13H2.
What are the key properties of 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol?
3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol has a molecular weight of 227.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-aminocyclopentyl)methoxy]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 106939967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).