2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol

C14H19F2NOS — CID 64819927

IUPAC2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CSc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C14H19F2NOS/c1-2-17-14(8-18,10-3-4-10)9-19-11-5-6-12(15)13(16)7-11/h5-7,10,17-18H,2-4,8-9H2,1H3
InChIKeyPAXPCSGRTQGSHC-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.81
Rot. Bonds7

About 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol

2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol (PubChem CID 64819927) has the molecular formula C14H19F2NOS and a molecular weight of 287.37 g/mol. Its IUPAC name is 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol
PubChem CID64819927
Molecular FormulaC14H19F2NOS
Molecular Weight287.37 g/mol
Exact Mass287.12
IUPAC Name2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(CSc1ccc(F)c(F)c1)C1CC1
InChIInChI=1S/C14H19F2NOS/c1-2-17-14(8-18,10-3-4-10)9-19-11-5-6-12(15)13(16)7-11/h5-7,10,17-18H,2-4,8-9H2,1H3
InChIKeyPAXPCSGRTQGSHC-UHFFFAOYSA-N
XLogP2.81
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol (CID 64819927) is 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol is CCNC(CO)(CSc1ccc(F)c(F)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol?
The InChIKey is PAXPCSGRTQGSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NOS/c1-2-17-14(8-18,10-3-4-10)9-19-11-5-6-12(15)13(16)7-11/h5-7,10,17-18H,2-4,8-9H2,1H3.
What are the key properties of 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol?
2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol has a molecular weight of 287.37 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(3,4-difluorophenyl)sulfanyl-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64819927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).