cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol

C8H12F3NO — CID 162591745

IUPACcis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
SMILES[H]/N=C(\C(C)F)[C@H]1CC(F)(F)C[C@H]1O
InChIInChI=1S/C8H12F3NO/c1-4(9)7(12)5-2-8(10,11)3-6(5)13/h4-6,12-13H,2-3H2,1H3/b12-7+/t4?,5-,6+/m0/s1
InChIKeyDFMFVIIKFBBSSV-ZCBFHKFMSA-N
MW195.18 g/mol
LogP1.77
Rot. Bonds2

About cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol

cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol (PubChem CID 162591745) has the molecular formula C8H12F3NO and a molecular weight of 195.18 g/mol. Its IUPAC name is cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol.

Molecular Properties

Compound Namecis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
PubChem CID162591745
Molecular FormulaC8H12F3NO
Molecular Weight195.18 g/mol
Exact Mass195.09
IUPAC Namecis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
SMILES[H]/N=C(\C(C)F)[C@H]1CC(F)(F)C[C@H]1O
InChIInChI=1S/C8H12F3NO/c1-4(9)7(12)5-2-8(10,11)3-6(5)13/h4-6,12-13H,2-3H2,1H3/b12-7+/t4?,5-,6+/m0/s1
InChIKeyDFMFVIIKFBBSSV-ZCBFHKFMSA-N
XLogP1.77
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4,4-Difluoro-2-(2-fluoroethanimidoyl)cyclopentan-1-ol
CID 123537351
4,4-Difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol
CID 123707641
2-Ethanimidoyl-4,4-difluorocyclopentan-1-ol
CID 123874890
cis-(1R,2R)-4,4-difluoro-2-(2-hydroxyethanimidoyl)cyclopentan-1-ol
CID 162591749
4-(2,4-Diiminocyclopentyl)butan-2-ol
CID 91329811
2-(2-Ethylbutanimidoyl)cyclopentan-1-ol
CID 123477245
cis-(1R,2R)-2-(2-ethylbutanimidoyl)cyclopentan-1-ol
CID 163509549

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol?
The IUPAC name of cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol (CID 162591745) is cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol.
What is the SMILES notation for cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol?
The canonical SMILES for cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol is [H]/N=C(\C(C)F)[C@H]1CC(F)(F)C[C@H]1O.
What is the InChIKey of cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol?
The InChIKey is DFMFVIIKFBBSSV-ZCBFHKFMSA-N. The full InChI is InChI=1S/C8H12F3NO/c1-4(9)7(12)5-2-8(10,11)3-6(5)13/h4-6,12-13H,2-3H2,1H3/b12-7+/t4?,5-,6+/m0/s1.
What are the key properties of cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol?
cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol has a molecular weight of 195.18 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-4,4-difluoro-2-(2-fluoropropanimidoyl)cyclopentan-1-ol is sourced from PubChem (CID 162591745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).