2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol

C13H15F4NO — CID 111107126

IUPAC2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESOC(CN(CC(F)F)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C13H15F4NO/c14-8-1-4-10(11(15)5-8)12(19)6-18(7-13(16)17)9-2-3-9/h1,4-5,9,12-13,19H,2-3,6-7H2
InChIKeyMHOSKMSPGTYEKK-UHFFFAOYSA-N
MW277.26 g/mol
LogP2.73
Rot. Bonds6

About 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol

2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol (PubChem CID 111107126) has the molecular formula C13H15F4NO and a molecular weight of 277.26 g/mol. Its IUPAC name is 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
PubChem CID111107126
Molecular FormulaC13H15F4NO
Molecular Weight277.26 g/mol
Exact Mass277.11
IUPAC Name2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol
SMILESOC(CN(CC(F)F)C1CC1)c1ccc(F)cc1F
InChIInChI=1S/C13H15F4NO/c14-8-1-4-10(11(15)5-8)12(19)6-18(7-13(16)17)9-2-3-9/h1,4-5,9,12-13,19H,2-3,6-7H2
InChIKeyMHOSKMSPGTYEKK-UHFFFAOYSA-N
XLogP2.73
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897810
2-[cyclohexyl(2-hydroxyethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111114276
4-[cyclopropyl-[2-(4-fluoro-2-methylphenyl)-2-hydroxyethyl]amino]butan-1-ol
CID 111565156
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-phenylethanol
CID 111107133
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 110897757
2-[cyclopropylmethyl(ethyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111118143
2-cyclopentylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 60981296
2-cyclohexylsulfanyl-1-(2,4-difluorophenyl)ethanol
CID 65139431
2-[bis(prop-2-ynyl)amino]-1-(2,4-difluorophenyl)ethanol
CID 111490393
3-cyclohexyl-1-(2,4-difluorophenyl)propan-1-ol
CID 61088667
(1S,2R)-2-amino-1-cyclopropyl-2-(2,4-difluorophenyl)ethanol
CID 171160265
2-[cyclohexyl(methyl)amino]-1-(2,5-difluorophenyl)ethanol
CID 82217055

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The IUPAC name of 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol (CID 111107126) is 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The canonical SMILES for 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol is OC(CN(CC(F)F)C1CC1)c1ccc(F)cc1F.
What is the InChIKey of 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol?
The InChIKey is MHOSKMSPGTYEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4NO/c14-8-1-4-10(11(15)5-8)12(19)6-18(7-13(16)17)9-2-3-9/h1,4-5,9,12-13,19H,2-3,6-7H2.
What are the key properties of 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol?
2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol has a molecular weight of 277.26 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(2,2-difluoroethyl)amino]-1-(2,4-difluorophenyl)ethanol is sourced from PubChem (CID 111107126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).