3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol

C8H16F2N2O — CID 106172985

IUPAC3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol
SMILESNC1CCC(NCC(F)(F)CO)C1
InChIInChI=1S/C8H16F2N2O/c9-8(10,5-13)4-12-7-2-1-6(11)3-7/h6-7,12-13H,1-5,11H2
InChIKeyLGOVJKMAVQRRNX-UHFFFAOYSA-N
MW194.22 g/mol
LogP0.08
Rot. Bonds4

About 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol

3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol (PubChem CID 106172985) has the molecular formula C8H16F2N2O and a molecular weight of 194.22 g/mol. Its IUPAC name is 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol.

Molecular Properties

Compound Name3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol
PubChem CID106172985
Molecular FormulaC8H16F2N2O
Molecular Weight194.22 g/mol
Exact Mass194.12
IUPAC Name3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol
SMILESNC1CCC(NCC(F)(F)CO)C1
InChIInChI=1S/C8H16F2N2O/c9-8(10,5-13)4-12-7-2-1-6(11)3-7/h6-7,12-13H,1-5,11H2
InChIKeyLGOVJKMAVQRRNX-UHFFFAOYSA-N
XLogP0.08
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.22
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]amino]propan-1-ol
CID 43770625
2-[(4-Amino-1,1,1-trifluorobutan-2-yl)-cyclopentylamino]ethanol
CID 54993479
3-[Piperidin-4-yl(2,2,2-trifluoroethyl)amino]propan-1-ol
CID 64851213
3-(Cyclopentylamino)-2,2-difluoropropan-1-ol
CID 104857821
2,2-Difluoro-3-(pentan-2-ylamino)propan-1-ol
CID 104860578
3-[(1,5-Dimethylpyrrolidin-3-yl)amino]-2,2-difluoropropan-1-ol
CID 104860605
2,2-Difluoro-3-(hexan-2-ylamino)propan-1-ol
CID 104860647
3-[(3-Aminocyclopentyl)amino]-1,1,1-trifluoropropan-2-ol
CID 105643584
3-[(3-Aminocyclopentyl)amino]-1,1-difluoropropan-2-ol
CID 105644345
3-[(3-Aminocyclohexyl)amino]-2,2-difluoropropan-1-ol
CID 106172846
3-(Azepan-4-ylamino)-2,2-difluoropropan-1-ol
CID 106172855
2,2-Difluoro-3-(pyrrolidin-2-ylmethylamino)propan-1-ol
CID 106172930

Frequently Asked Questions

What is the IUPAC name of 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol?
The IUPAC name of 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol (CID 106172985) is 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol.
What is the SMILES notation for 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol?
The canonical SMILES for 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol is NC1CCC(NCC(F)(F)CO)C1.
What is the InChIKey of 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol?
The InChIKey is LGOVJKMAVQRRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2N2O/c9-8(10,5-13)4-12-7-2-1-6(11)3-7/h6-7,12-13H,1-5,11H2.
What are the key properties of 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol?
3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol has a molecular weight of 194.22 g/mol, XLogP of 0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-aminocyclopentyl)amino]-2,2-difluoropropan-1-ol is sourced from PubChem (CID 106172985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).