3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol

C8H15F2NO — CID 103740416

IUPAC3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol
SMILESCC(NCC(O)C(F)F)C1CC1
InChIInChI=1S/C8H15F2NO/c1-5(6-2-3-6)11-4-7(12)8(9)10/h5-8,11-12H,2-4H2,1H3
InChIKeyJBMXMVUSSKVARR-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.00
Rot. Bonds5

About 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol

3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol (PubChem CID 103740416) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol
PubChem CID103740416
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol
SMILESCC(NCC(O)C(F)F)C1CC1
InChIInChI=1S/C8H15F2NO/c1-5(6-2-3-6)11-4-7(12)8(9)10/h5-8,11-12H,2-4H2,1H3
InChIKeyJBMXMVUSSKVARR-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

Analyze 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-[[(1R)-1-cyclopropylethyl]amino]propan-2-ol
CID 93082136
3-(1-cyclobutylpropan-2-ylamino)-1,1-difluoropropan-2-ol
CID 103787931
(2R)-1-[[(1S)-1-cyclopentylethyl]amino]propan-2-ol
CID 94524291
4-(1-cyclopropylethylamino)-3-hydroxybutanoic acid
CID 103238569
4-(1-cyclopropylethylamino)-3-methylbutan-1-ol
CID 66089907
3-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]butan-2-ol
CID 113492078
1,1,1-trifluoro-3-[1-(1-methylpiperidin-4-yl)ethylamino]propan-2-ol
CID 113260466
4-(1-cyclopropylethylamino)butan-2-ol
CID 64911110
3-(1-cyclopentylethylamino)propane-1,2-diol
CID 66177375
1,1-difluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 103731557
(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
1,1-difluoro-3-[(1-propan-2-ylpiperidin-4-yl)amino]propan-2-ol
CID 103788055

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol?
The IUPAC name of 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol (CID 103740416) is 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol.
What is the SMILES notation for 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol?
The canonical SMILES for 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol is CC(NCC(O)C(F)F)C1CC1.
What is the InChIKey of 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol?
The InChIKey is JBMXMVUSSKVARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-5(6-2-3-6)11-4-7(12)8(9)10/h5-8,11-12H,2-4H2,1H3.
What are the key properties of 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol?
3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol 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 3-(1-cyclopropylethylamino)-1,1-difluoropropan-2-ol is sourced from PubChem (CID 103740416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).