(1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane

C7H11Cl2OP — CID 15564773

IUPAC(1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane
SMILESO=P(Cl)(Cl)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C7H11Cl2OP/c8-11(9,10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7-/m0/s1
InChIKeyVBVRJIIWKDCPCX-XVMARJQXSA-N
MW213.04 g/mol
LogP3.85
Rot. Bonds1

About (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane

(1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane (PubChem CID 15564773) has the molecular formula C7H11Cl2OP and a molecular weight of 213.04 g/mol. Its IUPAC name is (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane
PubChem CID15564773
Molecular FormulaC7H11Cl2OP
Molecular Weight213.04 g/mol
Exact Mass211.99
IUPAC Name(1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane
SMILESO=P(Cl)(Cl)[C@H]1C[C@H]2CC[C@@H]1C2
InChIInChI=1S/C7H11Cl2OP/c8-11(9,10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7-/m0/s1
InChIKeyVBVRJIIWKDCPCX-XVMARJQXSA-N
XLogP3.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S,2S,4R)-2-diethoxyphosphorylbicyclo[2.2.1]heptane
CID 51013263
2-bicyclo[2.2.1]heptanyl-(2-bicyclo[2.2.1]heptanylsulfanyl)-sulfanyl-sulfanylidene-λ5-phosphane
CID 87476097
bicyclo[3.2.1]octane-2-sulfonyl chloride
CID 165456077
tricyclo[5.3.2.04,9]dodecane
CID 54490019
(1R,2S,4S)-2-(chloromethyl)bicyclo[2.2.1]heptane
CID 55301828
2-(dibromomethyl)bicyclo[2.2.1]heptane
CID 68736675
(2R,4S)-2-propan-2-ylbicyclo[2.2.1]heptane
CID 58921505
2-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetyl chloride
CID 124526975
bicyclo[2.2.1]heptan-2-ol;methanesulfonic acid
CID 57358132
[(2-bicyclo[2.2.1]heptanylamino)-phosphonomethyl]phosphonic acid
CID 14884320
(2S)-bicyclo[2.2.1]heptan-2-amine
CID 12720689
(1R,2R,4S)-2-methylbicyclo[2.2.1]heptane
CID 98050554

Frequently Asked Questions

What is the IUPAC name of (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane?
The IUPAC name of (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane (CID 15564773) is (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane?
The canonical SMILES for (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane is O=P(Cl)(Cl)[C@H]1C[C@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane?
The InChIKey is VBVRJIIWKDCPCX-XVMARJQXSA-N. The full InChI is InChI=1S/C7H11Cl2OP/c8-11(9,10)7-4-5-1-2-6(7)3-5/h5-7H,1-4H2/t5-,6+,7-/m0/s1.
What are the key properties of (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane?
(1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane has a molecular weight of 213.04 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,4S)-2-dichlorophosphorylbicyclo[2.2.1]heptane is sourced from PubChem (CID 15564773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).