3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol

C14H20FNO3 — CID 168595650

IUPAC3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol
SMILESOCC(O)CNc1cccc(F)c1OC1CCCC1
InChIInChI=1S/C14H20FNO3/c15-12-6-3-7-13(16-8-10(18)9-17)14(12)19-11-4-1-2-5-11/h3,6-7,10-11,16-18H,1-2,4-5,8-9H2
InChIKeyMJHQYYYLEAQWQL-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.91
Rot. Bonds6

About 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol

3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol (PubChem CID 168595650) has the molecular formula C14H20FNO3 and a molecular weight of 269.32 g/mol. Its IUPAC name is 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol.

Molecular Properties

Compound Name3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol
PubChem CID168595650
Molecular FormulaC14H20FNO3
Molecular Weight269.32 g/mol
Exact Mass269.14
IUPAC Name3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol
SMILESOCC(O)CNc1cccc(F)c1OC1CCCC1
InChIInChI=1S/C14H20FNO3/c15-12-6-3-7-13(16-8-10(18)9-17)14(12)19-11-4-1-2-5-11/h3,6-7,10-11,16-18H,1-2,4-5,8-9H2
InChIKeyMJHQYYYLEAQWQL-UHFFFAOYSA-N
XLogP1.91
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-cyclohexyloxyanilino)propane-1,2-diol
CID 168596583
3-(3-cyclopentyloxyanilino)propane-1,2-diol
CID 168595070
(2-cyclopentyloxy-3-fluorophenyl)methanol
CID 112613227
1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol
CID 168639707
3-(naphthalen-1-ylamino)propane-1,2-diol
CID 3017963
1-(2-cyclopentyloxy-3-fluorophenyl)-N-methylethanamine
CID 114058866
2-(2,3-dihydroxypropylamino)-6-fluorobenzamide
CID 168593553
3-(2,3-dihydro-1H-inden-4-ylamino)propane-1,2-diol
CID 168593617
1-chloro-2-cyclopentyloxy-3-fluorobenzene
CID 130057769
3-(2-cyclohexyloxy-3-fluoroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168559178
(2S)-3-(3-chloro-2-fluoroanilino)propane-1,2-diol
CID 61143077
1-cyclopentyloxy-3-(2,3,4-trifluoroanilino)propan-2-ol
CID 60898837

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol?
The IUPAC name of 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol (CID 168595650) is 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol.
What is the SMILES notation for 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol?
The canonical SMILES for 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol is OCC(O)CNc1cccc(F)c1OC1CCCC1.
What is the InChIKey of 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol?
The InChIKey is MJHQYYYLEAQWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3/c15-12-6-3-7-13(16-8-10(18)9-17)14(12)19-11-4-1-2-5-11/h3,6-7,10-11,16-18H,1-2,4-5,8-9H2.
What are the key properties of 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol?
3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol has a molecular weight of 269.32 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol is sourced from PubChem (CID 168595650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).