2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane

C14H22F2 — CID 91603404

IUPAC2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane
SMILESC=C(C)C(C)(F)C(C)(F)C1CC2CCC1C2
InChIInChI=1S/C14H22F2/c1-9(2)13(3,15)14(4,16)12-8-10-5-6-11(12)7-10/h10-12H,1,5-8H2,2-4H3
InChIKeyPCDAKIWGEZEGPR-UHFFFAOYSA-N
MW228.33 g/mol
LogP4.46
Rot. Bonds3

About 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane

2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane (PubChem CID 91603404) has the molecular formula C14H22F2 and a molecular weight of 228.33 g/mol. Its IUPAC name is 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane
PubChem CID91603404
Molecular FormulaC14H22F2
Molecular Weight228.33 g/mol
Exact Mass228.17
IUPAC Name2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane
SMILESC=C(C)C(C)(F)C(C)(F)C1CC2CCC1C2
InChIInChI=1S/C14H22F2/c1-9(2)13(3,15)14(4,16)12-8-10-5-6-11(12)7-10/h10-12H,1,5-8H2,2-4H3
InChIKeyPCDAKIWGEZEGPR-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Camphene
CID 6616
(-)-Camphene
CID 440966
D-Camphene
CID 92221
2,2,6,6-Tetramethyl-3-methylidenebicyclo[2.2.1]heptane
CID 46173196
Norbornane, 2,2-dimethyl-5-methylene-
CID 101717
(+)-beta-Fenchene
CID 12309841
(r)-Camphene
CID 23616291
2-(1-Methyl-2-propen-1-yl)bicyclo(2.2.1)heptane
CID 565373
(s)-Camphene
CID 23616290
(1S,2S,4R)-2-methyl-3-methylene-bicyclo[2.2.1]heptane
CID 12304421
(1R,2S,4S)-2-methyl-3-methylidenebicyclo[2.2.1]heptane
CID 21675158
2,2-Dimethyl-3-methylidenebicyclo[2.2.1]heptane;hydrate
CID 22155067

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane (CID 91603404) is 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane is C=C(C)C(C)(F)C(C)(F)C1CC2CCC1C2.
What is the InChIKey of 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane?
The InChIKey is PCDAKIWGEZEGPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2/c1-9(2)13(3,15)14(4,16)12-8-10-5-6-11(12)7-10/h10-12H,1,5-8H2,2-4H3.
What are the key properties of 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane?
2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane has a molecular weight of 228.33 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluoro-3,4-dimethylpent-4-en-2-yl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 91603404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).