(1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane

C10H15F — CID 98125587

IUPAC(1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)/C(=C/F)[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H15F/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-8H,3-5H2,1-2H3/b9-6+/t7-,8-/m1/s1
InChIKeySBJDLGHVDNFUQR-KCLFSUMYSA-N
MW154.23 g/mol
LogP3.30
Rot. Bonds

About (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane

(1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane (PubChem CID 98125587) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
PubChem CID98125587
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name(1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane
SMILESCC1(C)/C(=C/F)[C@@H]2CC[C@@H]1C2
InChIInChI=1S/C10H15F/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-8H,3-5H2,1-2H3/b9-6+/t7-,8-/m1/s1
InChIKeySBJDLGHVDNFUQR-KCLFSUMYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane?
The IUPAC name of (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane (CID 98125587) is (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane.
What is the SMILES notation for (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane?
The canonical SMILES for (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane is CC1(C)/C(=C/F)[C@@H]2CC[C@@H]1C2.
What is the InChIKey of (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane?
The InChIKey is SBJDLGHVDNFUQR-KCLFSUMYSA-N. The full InChI is InChI=1S/C10H15F/c1-10(2)8-4-3-7(5-8)9(10)6-11/h6-8H,3-5H2,1-2H3/b9-6+/t7-,8-/m1/s1.
What are the key properties of (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane?
(1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane has a molecular weight of 154.23 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3E,4R)-3-(fluoromethylidene)-2,2-dimethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 98125587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).