1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol

C8H15F2NO — CID 102869547

IUPAC1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol
SMILESCC(NCC(O)C1CC1)C(F)F
InChIInChI=1S/C8H15F2NO/c1-5(8(9)10)11-4-7(12)6-2-3-6/h5-8,11-12H,2-4H2,1H3
InChIKeyTXTQYIMSZGWQFH-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.00
Rot. Bonds5

About 1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol

1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol (PubChem CID 102869547) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol
PubChem CID102869547
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol
SMILESCC(NCC(O)C1CC1)C(F)F
InChIInChI=1S/C8H15F2NO/c1-5(8(9)10)11-4-7(12)6-2-3-6/h5-8,11-12H,2-4H2,1H3
InChIKeyTXTQYIMSZGWQFH-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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Related Compounds

(3S)-2-(4,4,4-trifluorobutylamino)hexan-3-ol
CID 146647597
2-Cyclopropyl-2-(2,2,2-trifluoroethylamino)propan-1-ol
CID 61045652
4-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61045848
2-(2,2-Difluoroethylamino)-4-methylpentan-1-ol
CID 61246577
2-Cyclopropyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 61310577
3-Ethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61317520
3-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61319551
1-Cyclopropyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanol
CID 63294839
1-Cyclopropyl-2-(2,2-difluoroethylamino)ethanol
CID 63298404
1-Cyclopropyl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]ethanol
CID 63298441
1-Cyclopropyl-2-[3-(2,2,2-trifluoroethoxy)propylamino]ethanol
CID 63298891
1-Cyclopropyl-2-(2,2,2-trifluoroethylamino)ethanol
CID 63299040

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol?
The IUPAC name of 1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol (CID 102869547) is 1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol.
What is the SMILES notation for 1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol?
The canonical SMILES for 1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol is CC(NCC(O)C1CC1)C(F)F.
What is the InChIKey of 1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol?
The InChIKey is TXTQYIMSZGWQFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-5(8(9)10)11-4-7(12)6-2-3-6/h5-8,11-12H,2-4H2,1H3.
What are the key properties of 1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol?
1-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol 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-cyclopropyl-2-(1,1-difluoropropan-2-ylamino)ethanol is sourced from PubChem (CID 102869547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).