1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol

C8H14F2N2O — CID 163294804

IUPAC1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol
SMILESNC1CN(CC2(O)CC2)CC1(F)F
InChIInChI=1S/C8H14F2N2O/c9-8(10)5-12(3-6(8)11)4-7(13)1-2-7/h6,13H,1-5,11H2
InChIKeyBDMIJSCSYZOIAY-UHFFFAOYSA-N
MW192.21 g/mol
LogP-0.21
Rot. Bonds2

About 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol

1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol (PubChem CID 163294804) has the molecular formula C8H14F2N2O and a molecular weight of 192.21 g/mol. Its IUPAC name is 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol
PubChem CID163294804
Molecular FormulaC8H14F2N2O
Molecular Weight192.21 g/mol
Exact Mass192.11
IUPAC Name1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol
SMILESNC1CN(CC2(O)CC2)CC1(F)F
InChIInChI=1S/C8H14F2N2O/c9-8(10)5-12(3-6(8)11)4-7(13)1-2-7/h6,13H,1-5,11H2
InChIKeyBDMIJSCSYZOIAY-UHFFFAOYSA-N
XLogP-0.21
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol (CID 163294804) is 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol is NC1CN(CC2(O)CC2)CC1(F)F.
What is the InChIKey of 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol?
The InChIKey is BDMIJSCSYZOIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2O/c9-8(10)5-12(3-6(8)11)4-7(13)1-2-7/h6,13H,1-5,11H2.
What are the key properties of 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol?
1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol has a molecular weight of 192.21 g/mol, XLogP of -0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3,3-difluoropyrrolidin-1-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 163294804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).