[1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol

C12H15F2NO — CID 116789339

IUPAC[1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol
SMILESOCC1(NCC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C12H15F2NO/c13-12(14,10-4-2-1-3-5-10)8-15-11(9-16)6-7-11/h1-5,15-16H,6-9H2
InChIKeyNDOIXBLIOBNFJM-UHFFFAOYSA-N
MW227.25 g/mol
LogP1.89
Rot. Bonds5

About [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol

[1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol (PubChem CID 116789339) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol
PubChem CID116789339
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name[1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol
SMILESOCC1(NCC(F)(F)c2ccccc2)CC1
InChIInChI=1S/C12H15F2NO/c13-12(14,10-4-2-1-3-5-10)8-15-11(9-16)6-7-11/h1-5,15-16H,6-9H2
InChIKeyNDOIXBLIOBNFJM-UHFFFAOYSA-N
XLogP1.89
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol?
The IUPAC name of [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol (CID 116789339) is [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol.
What is the SMILES notation for [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol?
The canonical SMILES for [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol is OCC1(NCC(F)(F)c2ccccc2)CC1.
What is the InChIKey of [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol?
The InChIKey is NDOIXBLIOBNFJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-12(14,10-4-2-1-3-5-10)8-15-11(9-16)6-7-11/h1-5,15-16H,6-9H2.
What are the key properties of [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol?
[1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol has a molecular weight of 227.25 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2,2-difluoro-2-phenylethyl)amino]cyclopropyl]methanol is sourced from PubChem (CID 116789339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).