2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol

C9H17F2NO — CID 102870160

IUPAC2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol
SMILESCC(NCC1(CCO)CC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(8(10)11)12-6-9(2-3-9)4-5-13/h7-8,12-13H,2-6H2,1H3
InChIKeyJUBXVYDRGPAFIR-UHFFFAOYSA-N
MW193.24 g/mol
LogP1.39
Rot. Bonds6

About 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol

2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol (PubChem CID 102870160) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol.

Molecular Properties

Compound Name2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol
PubChem CID102870160
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol
SMILESCC(NCC1(CCO)CC1)C(F)F
InChIInChI=1S/C9H17F2NO/c1-7(8(10)11)12-6-9(2-3-9)4-5-13/h7-8,12-13H,2-6H2,1H3
InChIKeyJUBXVYDRGPAFIR-UHFFFAOYSA-N
XLogP1.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol?
The IUPAC name of 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol (CID 102870160) is 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol.
What is the SMILES notation for 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol?
The canonical SMILES for 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol is CC(NCC1(CCO)CC1)C(F)F.
What is the InChIKey of 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol?
The InChIKey is JUBXVYDRGPAFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(8(10)11)12-6-9(2-3-9)4-5-13/h7-8,12-13H,2-6H2,1H3.
What are the key properties of 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol?
2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol has a molecular weight of 193.24 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]ethanol is sourced from PubChem (CID 102870160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).