[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol

C13H24F3NO2 — CID 82793798

IUPAC[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(OCCCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-10(2)17-12(9-18)6-4-11(8-12)19-7-3-5-13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyGVRRLRIANZALNA-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.63
Rot. Bonds7

About [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol

[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol (PubChem CID 82793798) has the molecular formula C13H24F3NO2 and a molecular weight of 283.33 g/mol. Its IUPAC name is [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol.

Molecular Properties

Compound Name[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
PubChem CID82793798
Molecular FormulaC13H24F3NO2
Molecular Weight283.33 g/mol
Exact Mass283.18
IUPAC Name[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol
SMILESCC(C)NC1(CO)CCC(OCCCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO2/c1-10(2)17-12(9-18)6-4-11(8-12)19-7-3-5-13(14,15)16/h10-11,17-18H,3-9H2,1-2H3
InChIKeyGVRRLRIANZALNA-UHFFFAOYSA-N
XLogP2.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carbonitrile
CID 82789002
[3-octoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79638608
[3-(3,3-dimethylbutoxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640126
[1-(cyclopropylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957194
[1-(propylamino)-3-(3,3,3-trifluoropropoxy)cyclohexyl]methanol
CID 82957034
[3-(4-methylpentoxy)-1-(propylamino)cyclopentyl]methanol
CID 79646271
[3-methoxy-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640901
[3-phenoxy-1-(propan-2-ylamino)cyclopentyl]methanol
CID 79645524
1-(methylamino)-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide
CID 82791692
[1-(propan-2-ylamino)-4-(trifluoromethyl)cyclohexyl]methanol
CID 64754508
[3-(2-methylbutan-2-yloxy)-1-(propan-2-ylamino)cyclohexyl]methanol
CID 79640739
[1-(ethylamino)-3-propoxycyclopentyl]methanol
CID 79644520

Frequently Asked Questions

What is the IUPAC name of [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol?
The IUPAC name of [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol (CID 82793798) is [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol.
What is the SMILES notation for [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol?
The canonical SMILES for [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol is CC(C)NC1(CO)CCC(OCCCC(F)(F)F)C1.
What is the InChIKey of [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol?
The InChIKey is GVRRLRIANZALNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO2/c1-10(2)17-12(9-18)6-4-11(8-12)19-7-3-5-13(14,15)16/h10-11,17-18H,3-9H2,1-2H3.
What are the key properties of [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol?
[1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol has a molecular weight of 283.33 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(propan-2-ylamino)-3-(4,4,4-trifluorobutoxy)cyclopentyl]methanol is sourced from PubChem (CID 82793798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).