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

C8H15F2NO — CID 102869917

IUPAC[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCC(NCC1(CO)CC1)C(F)F
InChIInChI=1S/C8H15F2NO/c1-6(7(9)10)11-4-8(5-12)2-3-8/h6-7,11-12H,2-5H2,1H3
InChIKeyXTKAXLXDFFZLMJ-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.00
Rot. Bonds5

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

[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol (PubChem CID 102869917) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is [1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol
PubChem CID102869917
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol
SMILESCC(NCC1(CO)CC1)C(F)F
InChIInChI=1S/C8H15F2NO/c1-6(7(9)10)11-4-8(5-12)2-3-8/h6-7,11-12H,2-5H2,1H3
InChIKeyXTKAXLXDFFZLMJ-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol?
The IUPAC name of [1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol (CID 102869917) is [1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol?
The canonical SMILES for [1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol is CC(NCC1(CO)CC1)C(F)F.
What is the InChIKey of [1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol?
The InChIKey is XTKAXLXDFFZLMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-6(7(9)10)11-4-8(5-12)2-3-8/h6-7,11-12H,2-5H2,1H3.
What are the key properties of [1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol?
[1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol has a molecular weight of 179.21 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1,1-difluoropropan-2-ylamino)methyl]cyclopropyl]methanol is sourced from PubChem (CID 102869917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).