4-(difluoromethyl)-1-ethyladamantane

C13H20F2 — CID 58192807

IUPAC4-(difluoromethyl)-1-ethyladamantane
SMILESCCC12CC3CC(C1)C(C(F)F)C(C3)C2
InChIInChI=1S/C13H20F2/c1-2-13-5-8-3-9(6-13)11(12(14)15)10(4-8)7-13/h8-12H,2-7H2,1H3
InChIKeySKLPZTAWRMDKSF-UHFFFAOYSA-N
MW214.30 g/mol
LogP4.10
Rot. Bonds2

About 4-(difluoromethyl)-1-ethyladamantane

4-(difluoromethyl)-1-ethyladamantane (PubChem CID 58192807) has the molecular formula C13H20F2 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-(difluoromethyl)-1-ethyladamantane.

Molecular Properties

Compound Name4-(difluoromethyl)-1-ethyladamantane
PubChem CID58192807
Molecular FormulaC13H20F2
Molecular Weight214.30 g/mol
Exact Mass214.15
IUPAC Name4-(difluoromethyl)-1-ethyladamantane
SMILESCCC12CC3CC(C1)C(C(F)F)C(C3)C2
InChIInChI=1S/C13H20F2/c1-2-13-5-8-3-9(6-13)11(12(14)15)10(4-8)7-13/h8-12H,2-7H2,1H3
InChIKeySKLPZTAWRMDKSF-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1-ethyladamantane?
The IUPAC name of 4-(difluoromethyl)-1-ethyladamantane (CID 58192807) is 4-(difluoromethyl)-1-ethyladamantane.
What is the SMILES notation for 4-(difluoromethyl)-1-ethyladamantane?
The canonical SMILES for 4-(difluoromethyl)-1-ethyladamantane is CCC12CC3CC(C1)C(C(F)F)C(C3)C2.
What is the InChIKey of 4-(difluoromethyl)-1-ethyladamantane?
The InChIKey is SKLPZTAWRMDKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2/c1-2-13-5-8-3-9(6-13)11(12(14)15)10(4-8)7-13/h8-12H,2-7H2,1H3.
What are the key properties of 4-(difluoromethyl)-1-ethyladamantane?
4-(difluoromethyl)-1-ethyladamantane has a molecular weight of 214.30 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1-ethyladamantane is sourced from PubChem (CID 58192807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).