1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol

C14H19ClFNO2 — CID 168639707

IUPAC1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol
SMILESOC(CCl)CNc1c(F)cccc1OC1CCCC1
InChIInChI=1S/C14H19ClFNO2/c15-8-10(18)9-17-14-12(16)6-3-7-13(14)19-11-4-1-2-5-11/h3,6-7,10-11,17-18H,1-2,4-5,8-9H2
InChIKeyMPFUOPANCHXQHI-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.16
Rot. Bonds6

About 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol

1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol (PubChem CID 168639707) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol.

Molecular Properties

Compound Name1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol
PubChem CID168639707
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol
SMILESOC(CCl)CNc1c(F)cccc1OC1CCCC1
InChIInChI=1S/C14H19ClFNO2/c15-8-10(18)9-17-14-12(16)6-3-7-13(14)19-11-4-1-2-5-11/h3,6-7,10-11,17-18H,1-2,4-5,8-9H2
InChIKeyMPFUOPANCHXQHI-UHFFFAOYSA-N
XLogP3.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-cyclopentyloxy-6-fluorophenyl)thiourea
CID 169358948
3-(2-cyclopentyloxy-3-fluoroanilino)propane-1,2-diol
CID 168595650
3-(2-cyclohexyloxyanilino)propane-1,2-diol
CID 168596583
2-(2-cyclopentyloxy-6-fluoroanilino)ethene-1,1,2-tricarbonitrile
CID 168609548
3-(3-cyclopentyloxyanilino)propane-1,2-diol
CID 168595070
1-chloro-3-(2,3-dichloro-6-fluoroanilino)propan-2-ol
CID 168640690
3-(2-cyclohexyloxy-6-fluoroanilino)-1-(2-hydroxyethyl)pyrrole-2,5-dione
CID 168558115
1-chloro-3-[2-(cyclopropylamino)anilino]propan-2-ol
CID 168639689
2-cycloheptyloxy-6-fluorobenzenecarbothioamide
CID 79519678
2-cyclobutyloxy-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565849
2-N-(2-cyclopentyloxy-6-fluorophenyl)-6-(2-fluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 118436976
2-(cyclooctylamino)-1-(2,6-difluorophenyl)ethanol
CID 60896945

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol?
The IUPAC name of 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol (CID 168639707) is 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol.
What is the SMILES notation for 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol?
The canonical SMILES for 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol is OC(CCl)CNc1c(F)cccc1OC1CCCC1.
What is the InChIKey of 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol?
The InChIKey is MPFUOPANCHXQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c15-8-10(18)9-17-14-12(16)6-3-7-13(14)19-11-4-1-2-5-11/h3,6-7,10-11,17-18H,1-2,4-5,8-9H2.
What are the key properties of 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol?
1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol has a molecular weight of 287.76 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(2-cyclopentyloxy-6-fluoroanilino)propan-2-ol is sourced from PubChem (CID 168639707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).