cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol

C11H12ClF2NO — CID 90401336

IUPACcis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol
SMILESN[C@@](c1ccccc1Cl)(C(F)F)[C@H]1C[C@H]1O
InChIInChI=1S/C11H12ClF2NO/c12-8-4-2-1-3-6(8)11(15,10(13)14)7-5-9(7)16/h1-4,7,9-10,16H,5,15H2/t7-,9+,11+/m0/s1
InChIKeyBBQPAVMCUONGAF-JVUFJMBOSA-N
MW247.67 g/mol
LogP2.14
Rot. Bonds3

About cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol

cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol (PubChem CID 90401336) has the molecular formula C11H12ClF2NO and a molecular weight of 247.67 g/mol. Its IUPAC name is cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol
PubChem CID90401336
Molecular FormulaC11H12ClF2NO
Molecular Weight247.67 g/mol
Exact Mass247.06
IUPAC Namecis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol
SMILESN[C@@](c1ccccc1Cl)(C(F)F)[C@H]1C[C@H]1O
InChIInChI=1S/C11H12ClF2NO/c12-8-4-2-1-3-6(8)11(15,10(13)14)7-5-9(7)16/h1-4,7,9-10,16H,5,15H2/t7-,9+,11+/m0/s1
InChIKeyBBQPAVMCUONGAF-JVUFJMBOSA-N
XLogP2.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.67
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol?
The IUPAC name of cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol (CID 90401336) is cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol.
What is the SMILES notation for cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol?
The canonical SMILES for cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol is N[C@@](c1ccccc1Cl)(C(F)F)[C@H]1C[C@H]1O.
What is the InChIKey of cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol?
The InChIKey is BBQPAVMCUONGAF-JVUFJMBOSA-N. The full InChI is InChI=1S/C11H12ClF2NO/c12-8-4-2-1-3-6(8)11(15,10(13)14)7-5-9(7)16/h1-4,7,9-10,16H,5,15H2/t7-,9+,11+/m0/s1.
What are the key properties of cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol?
cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol has a molecular weight of 247.67 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-2-[(1S)-1-amino-1-(2-chlorophenyl)-2,2-difluoroethyl]cyclopropan-1-ol is sourced from PubChem (CID 90401336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).