dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane

C10H17Cl2P — CID 10633716

IUPACdichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](P(Cl)Cl)C2
InChIInChI=1S/C10H17Cl2P/c1-9(2)7-4-5-10(9,3)8(6-7)13(11)12/h7-8H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKeyNWSKJHMGMCBQAM-QXFUBDJGSA-N
MW239.13 g/mol
LogP4.99
Rot. Bonds1

About dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane

dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane (PubChem CID 10633716) has the molecular formula C10H17Cl2P and a molecular weight of 239.13 g/mol. Its IUPAC name is dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane.

Molecular Properties

Compound Namedichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
PubChem CID10633716
Molecular FormulaC10H17Cl2P
Molecular Weight239.13 g/mol
Exact Mass238.04
IUPAC Namedichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane
SMILESCC1(C)[C@H]2CC[C@]1(C)[C@H](P(Cl)Cl)C2
InChIInChI=1S/C10H17Cl2P/c1-9(2)7-4-5-10(9,3)8(6-7)13(11)12/h7-8H,4-6H2,1-3H3/t7-,8+,10+/m0/s1
InChIKeyNWSKJHMGMCBQAM-QXFUBDJGSA-N
XLogP4.99
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.13
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
The IUPAC name of dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane (CID 10633716) is dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane.
What is the SMILES notation for dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
The canonical SMILES for dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane is CC1(C)[C@H]2CC[C@]1(C)[C@H](P(Cl)Cl)C2.
What is the InChIKey of dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
The InChIKey is NWSKJHMGMCBQAM-QXFUBDJGSA-N. The full InChI is InChI=1S/C10H17Cl2P/c1-9(2)7-4-5-10(9,3)8(6-7)13(11)12/h7-8H,4-6H2,1-3H3/t7-,8+,10+/m0/s1.
What are the key properties of dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane?
dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane has a molecular weight of 239.13 g/mol, XLogP of 4.99, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]phosphane is sourced from PubChem (CID 10633716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).