1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol

C14H18ClF2NO2 — CID 111107122

IUPAC1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CN(CC(F)F)C1CC1
InChIInChI=1S/C14H18ClF2NO2/c15-10-1-5-13(6-2-10)20-9-12(19)7-18(8-14(16)17)11-3-4-11/h1-2,5-6,11-12,14,19H,3-4,7-9H2
InChIKeyKNSBSEUDYPPFOJ-UHFFFAOYSA-N
MW305.75 g/mol
LogP2.81
Rot. Bonds8

About 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol

1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol (PubChem CID 111107122) has the molecular formula C14H18ClF2NO2 and a molecular weight of 305.75 g/mol. Its IUPAC name is 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol
PubChem CID111107122
Molecular FormulaC14H18ClF2NO2
Molecular Weight305.75 g/mol
Exact Mass305.10
IUPAC Name1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol
SMILESOC(COc1ccc(Cl)cc1)CN(CC(F)F)C1CC1
InChIInChI=1S/C14H18ClF2NO2/c15-10-1-5-13(6-2-10)20-9-12(19)7-18(8-14(16)17)11-3-4-11/h1-2,5-6,11-12,14,19H,3-4,7-9H2
InChIKeyKNSBSEUDYPPFOJ-UHFFFAOYSA-N
XLogP2.81
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol with MolForge

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Related Compounds

2-[[3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylamino]acetamide
CID 110899477
1-(4-chlorophenoxy)-3-[cyclopropyl-[(2-methoxyphenyl)methyl]amino]propan-2-ol
CID 46007702
1-(4-chlorophenoxy)-3-cyclobutylpropan-2-ol
CID 105100781
1-[cyclopropyl(2,2-difluoroethyl)amino]-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)propan-2-ol
CID 111107406
(2S)-1-(4-chlorophenoxy)-3-[[(3R)-1,1-dioxothiolan-3-yl]-[(4-ethoxyphenyl)methyl]amino]propan-2-ol
CID 39834870
(2S)-1-amino-3-(4-chlorophenoxy)propan-2-ol
CID 2049238
(2S)-1-[(4-tert-butylphenyl)methyl-[(3R)-1,1-dioxothiolan-3-yl]amino]-3-(4-chlorophenoxy)propan-2-ol
CID 39834866
[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-cyclopentylazanium
CID 7473337
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
1-[cyclohexyl(methyl)amino]-3-(4-propan-2-ylphenoxy)propan-2-ol
CID 3416827
1-[cyclobutyl(methyl)amino]-3-phenoxypropan-2-ol
CID 111488962
1-[cyclopropyl(1-cyclopropylethyl)amino]-3-(4-methylphenoxy)propan-2-ol
CID 86993421

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol?
The IUPAC name of 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol (CID 111107122) is 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol.
What is the SMILES notation for 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol?
The canonical SMILES for 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol is OC(COc1ccc(Cl)cc1)CN(CC(F)F)C1CC1.
What is the InChIKey of 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol?
The InChIKey is KNSBSEUDYPPFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF2NO2/c15-10-1-5-13(6-2-10)20-9-12(19)7-18(8-14(16)17)11-3-4-11/h1-2,5-6,11-12,14,19H,3-4,7-9H2.
What are the key properties of 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol?
1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol has a molecular weight of 305.75 g/mol, XLogP of 2.81, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenoxy)-3-[cyclopropyl(2,2-difluoroethyl)amino]propan-2-ol is sourced from PubChem (CID 111107122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).