cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane

C4H2ClF5 — CID 96565592

IUPACcis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane
SMILESF[C@H]1[C@@H](Cl)C(F)(F)C1(F)F
InChIInChI=1S/C4H2ClF5/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2+/m1/s1
InChIKeyTUQAWSUXFUXTIQ-NCGGTJAESA-N
MW180.50 g/mol
LogP2.22
Rot. Bonds

About cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane

cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane (PubChem CID 96565592) has the molecular formula C4H2ClF5 and a molecular weight of 180.50 g/mol. Its IUPAC name is cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane.

Molecular Properties

Compound Namecis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane
PubChem CID96565592
Molecular FormulaC4H2ClF5
Molecular Weight180.50 g/mol
Exact Mass179.98
IUPAC Namecis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane
SMILESF[C@H]1[C@@H](Cl)C(F)(F)C1(F)F
InChIInChI=1S/C4H2ClF5/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2+/m1/s1
InChIKeyTUQAWSUXFUXTIQ-NCGGTJAESA-N
XLogP2.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.50
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 22495201
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
1,1,2,3,4,5,6-heptachloro-4-fluorocyclohexane
CID 118578864
1,2,3,4,5,6-hexachloro-1-fluorocyclohexane
CID 119098816
trans-(4R,5R)-4-chloro-1,1,2,2,3,3-hexafluoro-5-(trifluoromethyl)cyclopentane
CID 98117627
(2,2,3-trifluoro-1-methylcyclopropyl)oxyboronic acid
CID 175031839
dipotassium;dioxido-(2,2,3-trifluoro-1-methylcyclopropyl)oxyborane
CID 175031838
1-chloro-1,2-difluorocyclopropane
CID 69232639
rutherfordium;2,2,3-trifluorocyclopropan-1-ol
CID 59685229
2,2,3-trifluorothiirane
CID 54324343
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742

Frequently Asked Questions

What is the IUPAC name of cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane?
The IUPAC name of cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane (CID 96565592) is cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane.
What is the SMILES notation for cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane?
The canonical SMILES for cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane is F[C@H]1[C@@H](Cl)C(F)(F)C1(F)F.
What is the InChIKey of cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane?
The InChIKey is TUQAWSUXFUXTIQ-NCGGTJAESA-N. The full InChI is InChI=1S/C4H2ClF5/c5-1-2(6)4(9,10)3(1,7)8/h1-2H/t1-,2+/m1/s1.
What are the key properties of cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane?
cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane has a molecular weight of 180.50 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(3R,4R)-3-chloro-1,1,2,2,4-pentafluorocyclobutane is sourced from PubChem (CID 96565592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).